SCHEMBL9532433

SCHEMBL9532433

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.32
▸ LMNA P02545 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
▸ 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
▸ SLC47A1 Q96FL8 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ MTNR1A P48039 2/20 0.31
▸ MTNR1B P49286 2/20 0.31

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
SCHEMBL9529094 0.93 CYP2C9 (0.34) CYP2C9LMNAMAPTKDM4ESLC22A2
SCHEMBL9530345 0.91 CYP2C9 (0.34) CYP2C9LMNAMAPTKDM4ESLC22A2
SCHEMBL6474993 0.88 CYP2C9 (0.38) CYP2C9LMNAMAPTKDM4ESLC22A2
SCHEMBL9286732 0.86 CYP2C9 (0.38) CYP2C9LMNAMAPTKDM4ESLC22A2
SCHEMBL10415258 0.85 NR3C1 (0.35) CYP2C9LMNAMAPTKDM4ESLC22A2
SCHEMBL10415267 0.85 NR3C1 (0.35) MAPTKDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL9755547 0.84 CYP2C9 (0.41) CYP2C9LMNAMAPTKDM4ESLC22A2
SCHEMBL9542909 0.81 CYP2C9 (0.36) CYP2C9LMNAMAPTKDM4ESLC22A2
SCHEMBL9386237 0.80 CYP2C9 (0.36) CYP2C9LMNAMAPTKDM4ESLC22A2
SCHEMBL9541742 0.80 CYP2C9 (0.36) CYP2C9LMNAMAPTKDM4ESLC22A2

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

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