SCHEMBL9529094

SCHEMBL9529094

CCOC(=O)OCn1c([S+]([O-])Cc2nccc(OC)c2OC)nc2cc(C(C)=O)c(C)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.34
▸ SRC P12931 2/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ DDAH1 O94760 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ATP4A P20648 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ FASN P49327 1/20 0.32
▸ ATP4B P51164 1/20 0.32
▸ SLC47A2 Q86VL8 1/20 0.32

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
SCHEMBL9530345 0.97 CYP2C9 (0.34) CYP2C9SRCTGFBR1MTNR1AMTNR1B
SCHEMBL9532433 0.93 CYP2C9 (0.32) CYP2C9SRCTGFBR1MTNR1AMTNR1B
SCHEMBL6474993 0.93 CYP2C9 (0.38) CYP2C9MTNR1AMTNR1BMAPTKDM4E
SCHEMBL9286732 0.90 CYP2C9 (0.38) CYP2C9SRCMTNR1AMTNR1BMAPT
SCHEMBL9542909 0.88 CYP2C9 (0.36) CYP2C9SRCTGFBR1MAPTKDM4E
SCHEMBL9386237 0.88 CYP2C9 (0.36) CYP2C9SRCTGFBR1MTNR1AMTNR1B
SCHEMBL9755547 0.86 CYP2C9 (0.41) CYP2C9MAPTKDM4ESLC22A2DDAH1
SCHEMBL10415258 0.85 NR3C1 (0.35) CYP2C9MTNR1AMTNR1BMAPTKDM4E
SCHEMBL10415267 0.85 NR3C1 (0.35) MTNR1AMTNR1BMAPTKDM4EALDH1A1
SCHEMBL9541742 0.85 CYP2C9 (0.36) CYP2C9SRCTGFBR1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019711-A1 SUBSTITUTED BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE AKTIEBOLAGET ASTRA (SE) 1991-12-26 — — WO claimed
EP-0535081-A1 SUBSTITUTED BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE AKTIEBOLAGET ASTRA (SE) 1993-04-07 — — EP disclosed
WO-1991019711-A1 SUBSTITUTED BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE AKTIEBOLAGET ASTRA (SE) 1991-12-26 — — WO disclosed
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