SCHEMBL11022217

SCHEMBL11022217

CCOc1cc(S(C)(=O)=O)ccc1-c1nc2ccc(C#N)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.53
NPBWR1 P48145 1/20 0.46
CBFB Q13951 1/20 0.45
SCD O00767 6/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
FADS1 O60427 1/20 0.42
MAPT P10636 1/20 0.42
CHEK2 O96017 1/20 0.42
TRPV4 Q9HBA0 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL11022213 0.92 ATR (0.44) ATRNPBWR1CBFBSCDFADS1
SCHEMBL11021091 0.91 ATR (0.48) ATRSCDMETAP2METAP1PKN1
SCHEMBL11021240 0.89 MAPT (0.46) ATRMETAP2METAP1PKN1PKN2
SCHEMBL11021741 0.89 ATR (0.44) ATRMETAP2METAP1PKN1PKN2
SCHEMBL11021898 0.89 ATR (0.53) ATRNPBWR1CBFBSCDMETAP2
SCHEMBL11021081 0.83 CA12 (0.43) ATRSCDMAPTCHEK2TRPV4
SCHEMBL11018186 0.82 CYP3A4 (0.48) ATRSCDPKN1PKN2
SCHEMBL11018070 0.82 METAP2 (0.44) ATRMETAP2METAP1PKN1PKN2
SCHEMBL11021674 0.81 METAP2 (0.46) ATRCBFBMETAP2METAP1PKN1
SCHEMBL11021736 0.81 MAPT (0.43) ATRMAPTTRPV4

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