SCHEMBL594198

SCHEMBL594198

C[N+](C)(C)Cc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CA12 O43570 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
CA9 Q16790 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
CYP2D6 P10635 2/20 0.48
MAPK1 P28482 1/20 0.48
MCHR1 Q99705 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45

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
Hydrochloric Acid SCHEMBL28534741 0.98 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1L3MBTL1BCHE
SCHEMBL331216 0.90 ALDH1A1 (0.63) ALDH1A1KDM4ETDP1CYP3A4SMN1; SMN2
SCHEMBL28743436 0.88 L3MBTL1 (0.44) ALDH1A1KDM4ETDP1L3MBTL1BCHE
SCHEMBL2149541 0.86 BCHE (0.49) ALDH1A1KDM4ETDP1L3MBTL1BCHE
SCHEMBL331272 0.85 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1L3MBTL1BCHE
Diphenylmethane SCHEMBL9099741 0.84 SMN1; SMN2 (0.54) ALDH1A1KDM4ETDP1L3MBTL1BCHE
Sulfuric Acid SCHEMBL229801 0.84 KDM4E (0.65) ALDH1A1KDM4ETDP1L3MBTL1BCHE
Sulfuric Acid SCHEMBL229800 0.84 KDM4E (0.71) ALDH1A1KDM4ETDP1CA12CYP3A4
SCHEMBL10719271 0.83 MCHR1 (0.67) ALDH1A1L3MBTL1BCHEACHECA12
Water SCHEMBL29166908 0.83 BCHE (0.47) ALDH1A1KDM4ETDP1L3MBTL1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749450-B1 COATING COMPOSITION AND PROCESS FOR FORMING CURED FILM NIPPON PAINT CO LTD (JP) 2000-07-05 EP claimed
WO-2023286767-A1 THERMOCONDUCTIVE MATERIAL COMPOSITION 株式会社大阪ソーダ 2023-01-19 WO disclosed
US-11450445-B2 Electroconductive film and method for manufacturing electroconductive pattern TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2022-09-20 US disclosed
US-20200303086-A1 ELECTROCONDUCTIVE FILM AND METHOD FOR MANUFACTURING ELECTROCONDUCTIVE PATTERN TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2020-09-24 US disclosed
US-10720259-B2 Electroconductive film and method for manufacturing electroconductive pattern TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2020-07-21 US disclosed
EP-2589701-B1 METHOD FOR PRODUCING SIZING AGENT-COATED CARBON FIBERS, AND SIZING AGENT-COATED CARBON FIBERS TORAY INDUSTRIES (JP) 2019-08-21 EP disclosed
US-10184034-B2 Carbon fiber forming raw material, formed material, and carbon fiber-reinforced composite material TORAY INDUSTRIES, INC. (JP) 2019-01-22 US disclosed
US-20170309363-A1 ELECTROCONDUCTIVE FILM AND METHOD FOR MANUFACTURING ELECTROCONDUCTIVE PATTERN TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-10-26 US disclosed
US-9771681-B2 Method for producing sizing agent-coated carbon fibers, and sizing agent-coated carbon fibers TORAY INDUSTRIES, INC. (JP) 2017-09-26 US disclosed
US-9593444-B2 Method for producing sizing agent-coated carbon fibers, and sizing agent-coated carbon fibers TORAY INDUSTRIES, INC. (JP) 2017-03-14 US disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
CN-1245664-C Radiation-sensitive composition changing in refractive index and method of changing refractive index JSR CORP (JP) 2006-03-15 CN disclosed
EP-0893456-B1 Process for producing modified acrylic rubber NIPPON MEKTRON KK (JP) 2003-08-27 EP disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
US-6380318-B1 PEROXIDE CURABLE; SOLVENT-FREE NIPPON MEKTRON, LIMITED (JP) 2002-04-30 US disclosed
EP-0893456-A1 Process for producing modified acrylic rubber Nippon Mektron, Limited (JP) 1999-01-27 EP disclosed
EP-0546564-B1 Rubber laminates TOYODA GOSEI KK (JP) 1995-03-15 EP disclosed
EP-0546564-A1 Rubber laminates TOYODA GOSEI CO., LTD. (JP) 1993-06-16 EP disclosed
US-5039756-A Vulcanization Systems SUMITOMO CHEMICAL CO., LTD. (JP) 1991-08-13 US disclosed
US-4650834-A POLYCARBOXYLIC ACID, QUATERNARY AMMONIUM OR PHOSPHONIUM SALT NIPPON ZEON CO., LTD. (JP) 1987-03-17 US disclosed