SCHEMBL6992299

SCHEMBL6992299

N#CCCCOc1ccc(CNc2ccc(-n3c(C#N)cc4ccccc43)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 10/20 0.42
CACNA1H O95180 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
GAA P10253 3/20 0.39
LTA4H P09960 2/20 0.38
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
BLM P54132 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
APP P05067 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
SNCA P37840 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7704580 0.87 CACNA1B (0.41) CACNA1BCACNA1HHRH3GAALTA4H
SCHEMBL7707552 0.87 LTB4R (0.31) CACNA1BATML3MBTL1
SCHEMBL6986838 0.82 CNR2 (0.45) MEN1MAPTKMT2ATP53KDM4E
SCHEMBL7092382 0.73 ITK (0.31)
SCHEMBL7233535 0.72 CACNA1B (0.42) CACNA1BCACNA1HMAPTKDM4EALDH1A1
SCHEMBL9171948 0.71 TSHR (0.40) LTA4HMEN1KMT2AALDH1A1
SCHEMBL9040496 0.70 ALDH1A1 (0.36) MEN1KMT2AKDM4EALDH1A1
SCHEMBL6988003 0.69 ALDH1A1 (0.52) GAAMEN1MAPTKMT2AATM
Hydrochloric Acid SCHEMBL2730055 0.69 LOXL2 (0.39) ALDH1A1
SCHEMBL14021628 0.68 GAA (0.45) GAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303508-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2003-04-23 EP claimed
WO-2002006273-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-01-24 WO claimed
EP-1303508-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2003-04-23 EP disclosed
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed
WO-2002006273-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-01-24 WO disclosed