SCHEMBL6991336

SCHEMBL6991336

Cc1cccc2c1cc(C)n2-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 6/20 0.52
HTT P42858 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 4/20 0.52
TP53 P04637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GFER P55789 2/20 0.52
GAA P10253 1/20 0.51
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
CSF1R P07333 1/20 0.49
BRAF P15056 1/20 0.49
KCNK3 O14649 1/20 0.49
EPHX2 P34913 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.48
HIF1A Q16665 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL7707511 0.89 EPHX2 (0.53) RAB9ANPC1SMN1; SMN2HTTTDP1
SCHEMBL7137687 0.88 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HTTTDP1
SCHEMBL7707145 0.88 SMN1; SMN2 (0.54) RAB9ANPC1SMN1; SMN2HTTTDP1
SCHEMBL7084508 0.87 ROCK2 (0.51) RAB9ANPC1SMN1; SMN2HTTTDP1
SCHEMBL6988611 0.85 RAB9A (0.58) RAB9ANPC1SMN1; SMN2HTTTDP1
SCHEMBL7178363 0.85 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2HTTTDP1
SCHEMBL7701965 0.84 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2HTTTDP1
SCHEMBL7707136 0.83 HDAC1 (0.46) RAB9ANPC1SMN1; SMN2HTTTDP1
SCHEMBL7701943 0.83 MEN1 (0.45) RAB9ANPC1SMN1; SMN2HTTTDP1
SCHEMBL7707522 0.81 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2HTTTDP1

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 6 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
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