SCHEMBL11020313

SCHEMBL11020313

COc1cc(S(N)(=O)=O)ccc1-c1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.54
CA9 Q16790 6/20 0.54
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
MAPK10 P53779 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ATR Q13535 1/20 0.39
AMY1A P0DUB6 2/20 0.39
PDE5A O76074 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CA4 P22748 1/20 0.38
SCN9A Q15858 5/20 0.38
CHEK2 O96017 1/20 0.38

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
SCHEMBL11020318 0.92 CA12 (0.54) CA2CA9CA12CA1KDM4E
SCHEMBL11021893 0.90 ATR (0.44) CA2CA9CA12CA1MAPK10
SCHEMBL11021081 0.89 CA12 (0.43) CA2CA9CA12CA1MAPK10
SCHEMBL10763275 0.88 MAPK10 (0.42) CA2CA9CA12CA1MAPK10
SCHEMBL11018857 0.88 MAPT (0.44) CA2CA9CA12CA1MAPK10
SCHEMBL11016112 0.88 SCN9A (0.42) CA2CA9CA12CA1MAPK10
SCHEMBL11018071 0.86 CYP2C9 (0.47) CA2CA9CA12CA1MAPK10
SCHEMBL10765238 0.84 CDK4 (0.45) CA2CA9CA12CA1KDM4E
SCHEMBL11021552 0.83 L3MBTL1 (0.47) CA2CA9CA12CA1MAPK10
SCHEMBL11017633 0.83 ALDH1A1 (0.44) CA2CA9CA12CA1MAPK10

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-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 EP disclosed