SCHEMBL7707522

SCHEMBL7707522

Cc1cc2c(C3CCOC3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.50
TP53 P04637 4/20 0.50
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 3/20 0.44
GFER P55789 1/20 0.44
HTT P42858 2/20 0.43
EPHX2 P34913 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 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
SCHEMBL7710312 0.90 SMN1; SMN2 (0.50) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7707775 0.88 SMN1; SMN2 (0.48) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7704577 0.85 SMN1; SMN2 (0.48) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7707191 0.83 SMN1; SMN2 (0.50) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL6991336 0.81 RAB9A (0.56) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7707511 0.79 EPHX2 (0.53) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7707145 0.78 SMN1; SMN2 (0.54) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7084508 0.77 ROCK2 (0.51) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7701965 0.76 ALDH1A1 (0.47) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7707136 0.75 HDAC1 (0.46) SMN1; SMN2TP53RAB9ANPC1MAPT

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