SCHEMBL8417432

SCHEMBL8417432

CCOC(=O)c1cccc([N+](=O)[O-])c1N(C)c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.38
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
HTT P42858 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
LMNA P02545 5/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MITF O75030 1/20 0.36

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
SCHEMBL2598199 0.90 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL30443795 0.85 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL29024296 0.85 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL9638043 0.84 LTB4R2 (0.43) ALDH1A1MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL30443207 0.79 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL3976878 0.79 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL3974369 0.78 SLC6A3 (0.49) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL2873565 0.77 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL7009875 0.75 SLC6A3 (0.43) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL8550701 0.74 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E

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 3 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