SCHEMBL9587152

SCHEMBL9587152

CCOC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(-c2c(C)c[nH]c2C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MAPT P10636 6/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AR P10275 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
PDE5A O76074 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HPGD P15428 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL9587742 0.92 ALDH1A1 (0.39) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL9587480 0.92 FNTA (0.38) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL9588746 0.91 CDK2 (0.40) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL9587389 0.86 AR (0.41) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL9586729 0.85 ALDH1A1 (0.39) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL9585879 0.83 ALDH1A1 (0.40) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL9588516 0.83 GHSR (0.35) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL9587907 0.83 MAPT (0.37) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL9587904 0.82 AR (0.41) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL9588176 0.81 CDK2 (0.50) ALDH1A1MAPTGAAKDM4EKMT2A

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-1993018030-A1 BENZIMIDAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-16 WO disclosed