SCHEMBL9587746

SCHEMBL9587746

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 11/20 0.38
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 4/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 8/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 2/20 0.36
CMA1 P23946 2/20 0.36
NPSR1 Q6W5P4 3/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 2/20 0.35
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
HSP90AA1 P07900 1/20 0.35
XBP1 P17861 1/20 0.35
CCR6 P51684 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL9587160 0.92 NPC1 (0.41) NPC1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9587485 0.90 NPC1 (0.43) NPC1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9588753 0.89 NPC1 (0.39) NPC1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9587365 0.85 ALDH1A1 (0.38) NPC1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9587393 0.83 ALDH1A1 (0.39) NPC1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9585885 0.83 ALDH1A1 (0.39) NPC1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL4619084 0.82 ALDH1A1 (0.47) NPC1ALDH1A1KMT2AATMMAPT
SCHEMBL9586735 0.82 ALDH1A1 (0.38) NPC1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9597160 0.82 NPC1 (0.40) NPC1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9587498 0.82 ALDH1A1 (0.38) NPC1ALDH1A1KDM4EHSD17B10KMT2A

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