SCHEMBL7704577

SCHEMBL7704577

Cc1cc2c(C3CCCO3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.48
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
MAPT P10636 4/20 0.48
TP53 P04637 4/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 6/20 0.46
GFER P55789 1/20 0.46
HTT P42858 3/20 0.45
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7701969 0.90 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL7710408 0.88 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL7707522 0.85 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL7707137 0.83 RAB9A (0.48) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL6991336 0.81 RAB9A (0.56) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL7707511 0.79 EPHX2 (0.53) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL7707145 0.78 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL7084508 0.77 ROCK2 (0.51) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL7701965 0.76 ALDH1A1 (0.47) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL7701943 0.75 MEN1 (0.45) SMN1; SMN2RAB9ANPC1MAPTTP53

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