SCHEMBL9588176

SCHEMBL9588176

CCc1c[nH]c(C#N)c1-c1ccc(CNc2c(C(=O)O)cccc2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.50
BDKRB1 P46663 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PPARG P37231 1/20 0.35
DNA2 P51530 1/20 0.34
CASP6 P55212 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
HPGD P15428 1/20 0.34
EIF4E P06730 1/20 0.34
FBP1 P09467 1/20 0.33

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
SCHEMBL9588746 0.85 CDK2 (0.40) CDK2GAAMAPTALDH1A1KMT2A
SCHEMBL9587152 0.81 ALDH1A1 (0.39) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9587742 0.80 ALDH1A1 (0.39) CDK2GAAMAPTALDH1A1KMT2A
SCHEMBL9587480 0.80 FNTA (0.38) CDK2GAAMAPTALDH1A1MEN1
SCHEMBL9239153 0.78 CDK2 (0.51) CDK2TSHRGAAMAPTALDH1A1
SCHEMBL9587907 0.76 MAPT (0.37) CDK2GAAMAPTALDH1A1KMT2A
SCHEMBL9588516 0.76 GHSR (0.35) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9587389 0.74 AR (0.41) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9586729 0.73 ALDH1A1 (0.39) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL15221815 0.73 AR (0.40) GAAMAPTALDH1A1MEN1KMT2A

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