SCHEMBL9587485

SCHEMBL9587485

CCOC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(-n2cc(Cl)cc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
MAPT P10636 7/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE5A O76074 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
HTT P42858 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.36
MITF O75030 3/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
CMA1 P23946 2/20 0.36
MAPK1 P28482 2/20 0.35
POLB P06746 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
SCHEMBL9587160 0.92 NPC1 (0.41) NPC1MAPTALDH1A1LMNAKDM4E
SCHEMBL9587746 0.90 NPC1 (0.40) NPC1MAPTALDH1A1LMNAKDM4E
SCHEMBL9588753 0.89 NPC1 (0.39) NPC1MAPTALDH1A1LMNAKDM4E
SCHEMBL9586735 0.85 ALDH1A1 (0.38) NPC1MAPTALDH1A1LMNAKDM4E
SCHEMBL9597160 0.85 NPC1 (0.40) NPC1MAPTALDH1A1LMNAKDM4E
SCHEMBL9587498 0.85 ALDH1A1 (0.38) NPC1MAPTALDH1A1LMNAKDM4E
SCHEMBL9587393 0.83 ALDH1A1 (0.39) NPC1MAPTALDH1A1LMNAKDM4E
SCHEMBL9585885 0.83 ALDH1A1 (0.39) NPC1MAPTALDH1A1LMNAKDM4E
SCHEMBL9587365 0.82 ALDH1A1 (0.38) NPC1MAPTALDH1A1LMNAKDM4E
SCHEMBL9587003 0.79 FNTA (0.40) NPC1MAPTALDH1A1LMNASMN1; 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