SCHEMBL7087744

SCHEMBL7087744

CSc1cc2cc(-c3nccs3)ccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
KHK P50053 1/20 0.43
RAB9A P51151 10/20 0.43
SMN1; SMN2 Q16637 9/20 0.43
NPC1 O15118 8/20 0.43
MAPT P10636 5/20 0.43
TP53 P04637 4/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
BRCA1 P38398 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL7167309 0.89 TSHR (0.49) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL7707726 0.87 EPHX2 (0.51) MEN1KMT2AALDH1A1POLBKHK
SCHEMBL7707187 0.86 ROCK2 (0.49) MEN1KMT2AALDH1A1POLBKHK
SCHEMBL7091717 0.85 ALDH1A1 (0.45) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL6985373 0.83 KHK (0.45) MEN1KMT2AALDH1A1POLBKHK
SCHEMBL7707125 0.82 HDAC1 (0.52) MEN1KMT2AALDH1A1POLBKHK
SCHEMBL7704599 0.82 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1POLBKHK
SCHEMBL7707740 0.82 RAB9A (0.55) MEN1KMT2AALDH1A1POLBKHK
SCHEMBL7707115 0.76 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1POLBKHK
SCHEMBL7092338 0.75 EPHX2 (0.53) MEN1KMT2AALDH1A1POLBRAB9A

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