SCHEMBL6757902

SCHEMBL6757902

CCc1c(S)ccc(-c2ccccc2)c1-c1ccccc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.39

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
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 2/20 0.38
MAPK1 P28482 1/20 0.38
PTGS2 P35354 4/20 0.37
PTGS1 P23219 1/20 0.36
CKS1B P61024 1/20 0.36
SKP2 Q13309 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 2/20 0.35

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
SCHEMBL6761940 0.85 LMNA (0.42) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL6762839 0.82 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL26705914 0.81 PTGS2 (0.49) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL25613450 0.81 PTGS2 (0.49) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL7108430 0.81 GCGR (0.41) LMNAMAPTL3MBTL1KDM4EHTT
SCHEMBL6765106 0.81 HSD11B1 (0.38) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL6761314 0.78 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL6757922 0.77 CYP2D6 (0.46) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL6757914 0.76 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL6760296 0.75 LMNA (0.36) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072720-B2 Aqueous ink, ink cartridge and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2021-07-27 US disclosed
US-20200071554-A1 AQUEOUS INK, INK CARTRIDGE AND INK JET RECORDING METHOD CANON KABUSHIKI KAISHA (JP) 2020-03-05 US disclosed
US-6723483-B1 Sulfonium salt compounds WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1113005-B1 Sulfonium salt compounds WAKO PURE CHEM IND LTD (JP) 2003-08-06 EP disclosed
EP-1238969-A2 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2002-09-11 EP disclosed
EP-1113005-A1 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2001-07-04 EP disclosed