SCHEMBL7092338

SCHEMBL7092338

Cc1cc2cc(-c3cccnc3)ccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.53
RAB9A P51151 10/20 0.50
NPC1 O15118 9/20 0.49
SMN1; SMN2 Q16637 8/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
TP53 P04637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.49
BRCA1 P38398 1/20 0.49
GFER P55789 1/20 0.49
ABCB1 P08183 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL6989433 0.93 ROCK2 (0.52) EPHX2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7710313 0.89 HDAC1 (0.54) EPHX2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7707726 0.87 EPHX2 (0.51) EPHX2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7707549 0.87 RAB9A (0.47) EPHX2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6988611 0.86 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL7167309 0.86 TSHR (0.49) EPHX2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7707527 0.85 ALDH1A1 (0.50) EPHX2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7088422 0.84 ALDH1A1 (0.51) EPHX2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7139981 0.84 MEN1 (0.56) EPHX2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7707511 0.82 EPHX2 (0.53) EPHX2RAB9ANPC1SMN1; SMN2MAPT

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