SCHEMBL7707115

SCHEMBL7707115

CSc1cc2cc(C3CCCO3)ccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.46
RAB9A P51151 10/20 0.46
NPC1 O15118 8/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
TP53 P04637 5/20 0.46
ALDH1A1 P00352 6/20 0.44
GFER P55789 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
KHK P50053 1/20 0.41
HTT P42858 2/20 0.39
EPHX2 P34913 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7707137 0.90 RAB9A (0.48) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL7707516 0.86 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL7710359 0.86 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL7701969 0.84 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL7707740 0.80 RAB9A (0.55) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL7707726 0.80 EPHX2 (0.51) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL7707187 0.79 ROCK2 (0.49) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL7704599 0.77 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL7707125 0.77 HDAC1 (0.52) SMN1; SMN2RAB9ANPC1MAPTGAA
SCHEMBL7087744 0.76 MEN1 (0.43) SMN1; SMN2RAB9ANPC1MAPTGAA

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