SCHEMBL9232189

SCHEMBL9232189

COC(=O)c1cc2nc([S@+]([O-])Cc3nccc(OC)c3OC)n(COC(=O)[C@H](O)c3ccccc3)c2cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.36
▸ CTSD P07339 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SLC22A2 O15244 1/20 0.31
▸ DDAH1 O94760 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ATP4A P20648 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ FASN P49327 1/20 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
SCHEMBL9232184 1.00 CYP2C9 (0.36) CYP2C9CTSDKMT2AATMPTK2
SCHEMBL9231523 1.00 CYP2C9 (0.36) CYP2C9CTSDKMT2AATMPTK2
SCHEMBL9227319 0.97 CYP2C9 (0.36) CYP2C9CTSDKMT2AATMPTK2
SCHEMBL9227315 0.97 CYP2C9 (0.36) CYP2C9CTSDKMT2AATMPTK2
SCHEMBL6474993 0.87 CYP2C9 (0.38) CYP2C9CTSDKMT2AKDM4ESLC22A2
SCHEMBL9541724 0.86 CYP2C9 (0.41) CYP2C9CTSDPTK2KDM4ESLC22A2
SCHEMBL9544128 0.85 CYP2C9 (0.41) CYP2C9CTSDPTK2KDM4ESLC22A2
SCHEMBL9286732 0.84 CYP2C9 (0.38) CYP2C9CTSDKMT2APTK2FGFR1
SCHEMBL9382421 0.82 CYP2C9 (0.41) CYP2C9CTSDPTK2FGFR1SRC
SCHEMBL9545020 0.82 CYP2C9 (0.41) CYP2C9CTSDPTK2FGFR1SRC

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
WO-1996016959-A1 A PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1996-06-06 — — WO disclosed
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