SCHEMBL7091715

SCHEMBL7091715

N#Cc1cc2c(-c3nccs3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
GFER P55789 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.41
EPHX2 P34913 2/20 0.40
RECQL P46063 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KCNK3 O14649 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7701943 0.87 MEN1 (0.45) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL7086655 0.87 EPHX2 (0.48) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL7707537 0.85 ROCK2 (0.48) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL6985373 0.85 KHK (0.45) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL7091717 0.83 ALDH1A1 (0.45) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL7704594 0.82 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL7704583 0.82 HDAC1 (0.47) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL7141571 0.81 ALDH1A1 (0.59) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL7710408 0.76 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL7707775 0.75 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1POLBNPC1

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
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
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US 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
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed