SCHEMBL7707161

SCHEMBL7707161

CSc1cc2c(-c3cccnc3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
KHK P50053 1/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
RAB9A P51151 7/20 0.49
NPC1 O15118 5/20 0.49
TP53 P04637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
GFER P55789 1/20 0.49
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNK3 O14649 1/20 0.44

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
SCHEMBL7707803 0.94 ROCK2 (0.48) EPHX2KHKSMN1; SMN2RAB9ANPC1
SCHEMBL7707778 0.90 SMN1; SMN2 (0.46) EPHX2KHKSMN1; SMN2RAB9ANPC1
SCHEMBL7137687 0.89 RAB9A (0.52) EPHX2KHKSMN1; SMN2RAB9ANPC1
SCHEMBL7707120 0.88 SMN1; SMN2 (0.46) EPHX2KHKSMN1; SMN2RAB9ANPC1
SCHEMBL7707511 0.87 EPHX2 (0.53) EPHX2SMN1; SMN2RAB9ANPC1TP53
SCHEMBL6985373 0.87 KHK (0.45) EPHX2KHKSMN1; SMN2RAB9ANPC1
SCHEMBL7707740 0.83 RAB9A (0.55) EPHX2KHKSMN1; SMN2RAB9ANPC1
SCHEMBL7707726 0.83 EPHX2 (0.51) EPHX2KHKSMN1; SMN2RAB9ANPC1
SCHEMBL7086655 0.83 EPHX2 (0.48) EPHX2SMN1; SMN2RAB9ANPC1TP53
SCHEMBL7084508 0.82 ROCK2 (0.51) EPHX2SMN1; SMN2RAB9ANPC1TP53

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 2 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
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed