SCHEMBL3952116

SCHEMBL3952116

O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Cl)c(S(=O)(=O)[O-])c2)cc1.O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Cl)c(S(=O)(=O)[O-])c2)cc1.[Ca+2]

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSD11B1 P28845 2/20 0.43
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Potassium Ion SCHEMBL584753 0.97 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL2469317 0.86 KMT2A (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL5075923 0.85 ALDH1A1 (0.59) ALDH1A1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL2483870 0.82 ALDH1A1 (0.59) ALDH1A1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL27803974 0.82 ALDH1A1 (0.59) ALDH1A1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL29396358 0.82 ALDH1A1 (0.59) ALDH1A1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL10923586 0.82 HSD17B10 (0.63) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
Potassium Ion SCHEMBL28796297 0.82 ALDH1A1 (0.59) ALDH1A1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL29558643 0.82 POLB (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1HSD11B1
Potassium Ion SCHEMBL250324 0.82 POLB (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2752458-B1 AROMATIC POLYCARBONATE RESIN COMPOSITION, AND MOLDED ARTICLE COMPRISING SAME MITSUBISHI GAS CHEMICAL CO (JP) 2023-07-05 EP disclosed
US-20220363894-A1 RESIN COMPOSITION AND ELECTRONIC/ELECTRIC EQUIPMENT COMPONENT MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2022-11-17 US disclosed
EP-2557123-B1 POLYCARBONATE RESIN COMPOSITION, METHOD FOR PRODUCING SAME AND MOLDED ARTICLE OF THIS RESIN COMPOSITION MITSUBISHI CHEM CORP (JP) 2020-04-29 EP disclosed
EP-2617772-B1 POLYPHENYLENE ETHER RESIN COMPOSITION AND MOLDED ARTICLE OF SAME MITSUBISHI ENG PLASTICS CORP (JP) 2020-02-12 EP disclosed
EP-2832764-B1 POLYCARBONATE RESIN, POLYCARBONATE RESIN COMPOSITION, AND MOLDED ARTICLE THEREOF MITSUBISHI CHEM CORP (JP) 2018-01-10 EP disclosed
EP-2554599-B1 POLYCARBONATE RESIN COMPOSITION, METHOD FOR PRODUCING SAME AND MOLDED ARTICLE OF THIS RESIN COMPOSITION MITSUBISHI CHEM CORP (JP) 2017-11-15 EP disclosed
US-9777152-B2 Polycarbonate resin composition, method for producing same and molded article of this resin composition MITSUBISHI CHEMICAL CORPORATION (JP) 2017-10-03 US disclosed
US-9771477-B2 Polycarbonate resin composition, method for producing same and molded article of this resin composition MITSUBISHI CHEMICAL CORPORATION (JP) 2017-09-26 US disclosed
US-20160237276-A1 POLYCARBONATE RESIN COMPOSITION, METHOD FOR PRODUCING SAME AND MOLDED ARTICLE OF THIS RESIN COMPOSITION MITSUBISHI CHEMICAL CORPORATION (JP) 2016-08-18 US disclosed
US-9193825-B2 Polycarbonate resin, polycarbonate resin composition and molded article thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2015-11-24 US disclosed
EP-2554599-A1 POLYCARBONATE RESIN COMPOSITION, METHOD FOR PRODUCING SAME AND MOLDED ARTICLE OF THIS RESIN COMPOSITION Mitsubishi Chemical Corporation (JP) 2013-02-06 EP disclosed
US-20130030113-A1 POLYCARBONATE RESIN COMPOSITION, METHOD FOR PRODUCING SAME AND MOLDED ARTICLE OF THIS RESIN COMPOSITION MITSUBISHI CHEMICAL CORPORATION (JP) 2013-01-31 US disclosed
US-20130030112-A1 POLYCARBONATE RESIN COMPOSITION, METHOD FOR PRODUCING SAME AND MOLDED ARTICLE OF THIS RESIN COMPOSITION MITSUBISHI CHEMICAL CORPORATION (JP) 2013-01-31 US disclosed
US-20130030094-A1 POLYCARBONATE RESIN, COMPOSITION OF SAID RESIN, AND MOLDED ARTICLE OF SAID RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 2013-01-31 US disclosed
EP-1605320-B1 Transfer medium carrying member, intermediate transfer member and image forming apparatus using the same CANON KK (JP) 2009-04-22 EP disclosed
US-20070178312-A1 TRANSFER MEDIUM CARRYING MEMBER, INTERMEDIATE TRANSFER MEMBER AND IMAGE FORMING APPARATUS USING THE SAME CANON KABUSHIKI KAISHA (JP) 2007-08-02 US disclosed
EP-1605320-A2 Transfer medium carrying member, intermediate transfer member and image forming apparatus using the same CANON KABUSHIKI KAISHA (JP) 2005-12-14 EP disclosed
US-20050271879-A1 Transfer medium carrying member, intermediate transfer member and image forming apparatus using the same CANON KABUSHIKI KAISHA (JP) 2005-12-08 US disclosed
US-6369141-B1 AROMATIC POLYPHOSPHATE, POLYFLUOROETHYLENE, AND SHELL-CORE POLYMER WITH ALKYL (METH)ACRYLATE EXTERIOR LAYER; MECHANICAL PROPERTIES, HEAT RESISTANCE, STABILITY; ELECTRONICS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2002-04-09 US disclosed
US-6342550-B1 ORGANIC SULFONIC ACID METAL SALT,FLUORINATED POLYOLEFIN, DIENE MULTI-LAYERED POLYMER, PHOSPHORUS FREE; IMPACT RESISTANCE, HEAT RESISTANCE, MOLDABILITY, CHEMICAL REESISTANCE MITSUBISHI ENGINEERING PLASTICS CORPORATION (JP) 2002-01-29 US disclosed