SCHEMBL8417438

SCHEMBL8417438

CCOC(=O)c1ccc(N)c([N+](=O)[O-])c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
PRKCZ Q05513 1/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 3/20 0.38
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
HTT P42858 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL9193429 0.84 ALDH1A1 (0.48) MAPTRAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7008730 0.74 ALDH1A1 (0.44) MAPTKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL3976878 0.73 ALDH1A1 (0.46) MAPTKDM4EALDH1A1HSD17B10TDP1
SCHEMBL30443207 0.73 ALDH1A1 (0.46) MAPTKDM4EALDH1A1HSD17B10TDP1
SCHEMBL6064418 0.72 GRIA2 (0.41) MAPTKDM4EALDH1A1HSD17B10TDP1
SCHEMBL30660078 0.72 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10TDP1L3MBTL1
SCHEMBL3982628 0.72 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10TDP1L3MBTL1
SCHEMBL9638043 0.71 LTB4R2 (0.43) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL8421301 0.71 RAB9A (0.48) MAPTRAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL8566925 0.70 ESR2 (0.36) MAPTALDH1A1TDP1LMNAMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed
US-5328919-A Antagonist of Angiotensin for cardiovascular disorders and hypotensive TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-07-12 US disclosed