SCHEMBL9386237

SCHEMBL9386237

COc1ccnc(C[S+]([O-])c2nc3cc(C(C)=O)c(C)cc3n2CCl)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.36
▸ SRC P12931 2/20 0.34
▸ TGFBR1 P36897 2/20 0.34
▸ ATP4A P20648 5/20 0.34
▸ ATP4B P51164 5/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SLC22A2 O15244 1/20 0.34
▸ DDAH1 O94760 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ FASN P49327 1/20 0.34
▸ SLC47A2 Q86VL8 1/20 0.34
▸ SLC47A1 Q96FL8 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL9543157 0.97 CYP2C9 (0.36) CYP2C9SRCTGFBR1ATP4AATP4B
SCHEMBL9541724 0.92 CYP2C9 (0.41) CYP2C9ATP4AATP4BHPGDMAPT
SCHEMBL9542909 0.92 CYP2C9 (0.36) CYP2C9SRCTGFBR1ATP4AATP4B
SCHEMBL9382421 0.89 CYP2C9 (0.41) CYP2C9SRCATP4AATP4BHPGD
SCHEMBL9541742 0.89 CYP2C9 (0.36) CYP2C9SRCTGFBR1ATP4AATP4B
SCHEMBL9529094 0.88 CYP2C9 (0.34) CYP2C9SRCTGFBR1ATP4AATP4B
SCHEMBL9544128 0.84 CYP2C9 (0.41) CYP2C9ATP4AATP4BHPGDMAPT
SCHEMBL9530345 0.84 CYP2C9 (0.34) CYP2C9SRCTGFBR1ATP4AATP4B
SCHEMBL9545020 0.81 CYP2C9 (0.41) CYP2C9SRCATP4AATP4BHPGD
SCHEMBL9232103 0.81 CYP2C9 (0.40) CYP2C9HPGDMAPTALDH1A1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628049-A1 SUBSTITUTED BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AS WELL AS THEIR USE Astra Aktiebolag (SE) 1994-12-14 — — EP disclosed
WO-1993012124-A1 SUBSTITUTED BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AS WELL AS THEIR USE AB ASTRA (SE) 1993-06-24 — — WO disclosed
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