SCHEMBL5973929

SCHEMBL5973929

C=Cc1ccccn1.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 6/20 0.55
▸ TDP1 Q9NUW8 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ LMNA P02545 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ PTGS2 P35354 2/20 0.45
▸ GSK3B P49841 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ NFE2L2 Q16236 2/20 0.41

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
SCHEMBL27612252 0.88 SMN1; SMN2 (0.53) ALDH1A1TDP1MAPTKDM4ELMNA
2-Pyridinecarboxaldehyde SCHEMBL9846765 0.87 ALDH1A1 (0.56) ALDH1A1TDP1MAPTKDM4ELMNA
SCHEMBL2572759 0.83 ALDH1A1 (0.52) ALDH1A1TDP1MAPTKDM4ELMNA
SCHEMBL2572762 0.83 ALDH1A1 (0.52) ALDH1A1TDP1MAPTKDM4ELMNA
Sulfuric Acid SCHEMBL7037320 0.82 RAB9A (0.52) ALDH1A1TDP1MAPTKDM4ELMNA
Dipyridyl SCHEMBL17165043 0.81 KDM4E (0.67) ALDH1A1TDP1MAPTKDM4ELMNA
Dipyridyl SCHEMBL31482442 0.81 KDM4E (0.67) ALDH1A1TDP1MAPTKDM4ELMNA
SCHEMBL11833269 0.81 GAA (0.44) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL11610034 0.80 ALDH1A1 (0.67) ALDH1A1TDP1MAPTKDM4ELMNA
SCHEMBL6264410 0.80 ALDH1A1 (0.67) ALDH1A1TDP1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102428112-A Polymerizable Polymeric Photoinitiators And Radiation Curable Compositions AGFA GRAPHICS NV 2012-04-25 — — CN claimed
WO-2023169352-A1 BENZOPHENONE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 艾坚蒙(安庆)科技发展有限公司 2023-09-14 — — WO disclosed
CN-102428112-B Polymerizable Polymeric Photoinitiators And Radiation Curable Compositions AGFA GRAPHICS NV 2014-01-08 — — CN disclosed
CN-102428112-A Polymerizable Polymeric Photoinitiators And Radiation Curable Compositions AGFA GRAPHICS NV 2012-04-25 — — CN disclosed
CN-102256929-A Polymerizable photoinitiator and radiation curable composition AGFA GRAPHICS NV 2011-11-23 — — CN disclosed
EP-1235820-B1 ETHER-CAPPED POLY(OXYALKYLATED) ALCOHOL SURFACTANTS PROCTER & GAMBLE (US) 2006-08-23 — — EP disclosed
US-6844309-B1 Ether-capped poly(oxyalkylated) alcohol surfactants THE PROCTER & GAMBLE COMPANY (US) 2005-01-18 — — US disclosed
US-6686330-B2 LOW-FOAMING; GOOD BIODEGRADABILITY; CAN BE USED IN POLYMER, ANTIFOAMING, BIOCIDAL, COATING, FERTILIZER, PHARMACEUTICAL, AND DRILLING FLUID COMPOSITIONS. THE PROCTER & GAMBLE COMPANY 2004-02-03 — — US disclosed
US-6593287-B1 Having surperior degreasing abilities without leaving spots THE PROCTER & GAMBLE COMPANY 2003-07-15 — — US disclosed
EP-1235893-A2 ETHER-CAPPED POLY(OXYALKYLATED) ALCOHOL SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2002-09-04 — — EP disclosed
WO-2001042408-A2 ETHER-CAPPED POLY(OXYALKYLATED) ALCOHOL SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2001-06-14 — — WO disclosed
WO-2001041912-A2 ETHER-CAPPED POLY(OXYALKYLATED) ALCOHOL SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2001-06-14 — — WO disclosed
WO-2001041909-A1 COMPOSITIONS INCLUDING ETHER-CAPPED POLY(OXYALKYLATED) ALCOHOL WETTING AGENTS THE PROCTER & GAMBLE COMPANY (US) 2001-06-14 — — WO disclosed
WO-2001042410-A1 COMPOSITIONS INCLUDING ETHER-CAPPED POLY(OXYALKYLATED) ALCOHOL SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2001-06-14 — — WO disclosed
WO-2001042411-A1 COMPOSITIONS INCLUDING ETHER-CAPPED POLY(OXYALKYLATED) ALCOHOL SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2001-06-14 — — WO disclosed
WO-2001041910-A2 PROCESS FOR PREPARING ETHER-CAPPED POLY(OXYALKYLATED) ALCOHOL SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2001-06-14 — — WO disclosed
EP-0173404-B1 PHOTOGRAPHIC PRODUCTS AND PROCESSES AS WELL AS COLOR PROVIDING COMPOUNDS POLAROID CORPORATION (US) 1988-11-02 — — EP disclosed
US-4631344-A FORMYLATED ANTHRAQUINONE THIAZOLIDINE ESTER POLAROID CORPORATION (US) 1986-12-23 — — US disclosed
EP-0173404-A2 Photographic products and processes as well as color providing compounds POLAROID CORPORATION (US) 1986-03-05 — — EP disclosed
US-4535051-A ANTHRAQUINONE DYES WITH THIAZOLIDIN-2-YL GROUP POLAROID CORPORATION (US) 1985-08-13 — — US disclosed
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