SCHEMBL10701972

SCHEMBL10701972

COc1cc2nc([S+]([O-])Cc3cc(C)ccc3N(C)C)[nH]c2cc1OC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37
PDE10A Q9Y233 3/20 0.35
F10 P00742 1/20 0.33
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
AMY1A P0DUB6 3/20 0.32
MAPT P10636 4/20 0.32
POLB P06746 2/20 0.32
PTGS2 P35354 1/20 0.32
TP53 P04637 2/20 0.31
ATP4A P20648 1/20 0.31
ATP4B P51164 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
SCHEMBL10699725 0.90 ATP4A (0.33) MAPTPOLBATP4AATP4B
SCHEMBL9678434 0.87 PDE10A (0.39) PDE10AF10AMY1APOLBATP4A
SCHEMBL10699957 0.87 LMNA (0.37) PDE10AF10
SCHEMBL6481794 0.86 ATP4A (0.45) MAPTPOLBTP53ATP4AATP4B
SCHEMBL6481789 0.86 ATP4A (0.36) MAPTPOLBATP4AATP4B
SCHEMBL7930040 0.85 ATP4A (0.42) ALOX5EPHX2PDE10AF10HCRTR1
SCHEMBL9398067 0.82 ATP4A (0.42) MAPTPOLBTP53ATP4AATP4B
SCHEMBL10701638 0.81 MAOB (0.32) MAPTPOLBTP53ATP4AATP4B
SCHEMBL10699863 0.81 CRHR1 (0.33) ALOX5EPHX2HCRTR1HCRTR2
SCHEMBL10700467 0.80 PDE10A (0.36) PDE10AF10ATP4AATP4B

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-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP claimed