SCHEMBL9587465

SCHEMBL9587465

CCOC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(-c2[nH]c(C)cc2CCC#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
ATM Q13315 2/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 4/20 0.36
MITF O75030 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
GLA P06280 1/20 0.35
PDE5A O76074 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HPGD P15428 3/20 0.34
GALR2 O43603 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9586006 0.87 ALDH1A1 (0.38) ALDH1A1ATMMAPTSMN1; SMN2GAA
SCHEMBL9585879 0.83 ALDH1A1 (0.40) ALDH1A1ATMKMT2AMAPTSMN1; SMN2
SCHEMBL9588162 0.81 FNTA (0.36) ALDH1A1ATMKMT2AMAPTSMN1; SMN2
SCHEMBL9587460 0.80 POLB (0.39) ALDH1A1ATMKMT2AMAPTSMN1; SMN2
SCHEMBL3976878 0.79 ALDH1A1 (0.46) ALDH1A1ATMKMT2AMAPTSMN1; SMN2
SCHEMBL30443207 0.79 ALDH1A1 (0.46) ALDH1A1ATMKMT2AMAPTSMN1; SMN2
SCHEMBL9587361 0.79 ALDH1A1 (0.40) ALDH1A1ATMKMT2AMAPTSMN1; SMN2
SCHEMBL9587492 0.79 ALDH1A1 (0.39) ALDH1A1ATMKMT2AMAPTSMN1; SMN2
SCHEMBL9587389 0.78 AR (0.41) ALDH1A1ATMKMT2AMAPTSMN1; SMN2
SCHEMBL9588746 0.78 CDK2 (0.40) ALDH1A1ATMKMT2AMAPTSMN1; SMN2

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