SCHEMBL7707191

SCHEMBL7707191

Cc1cc2cc(C3CCOC3)ccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.50
TP53 P04637 4/20 0.50
RAB9A P51151 9/20 0.48
NPC1 O15118 8/20 0.48
MAPT P10636 5/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 3/20 0.44
GFER P55789 1/20 0.44
EGFR P00533 1/20 0.44
HTT P42858 2/20 0.43
EPHX2 P34913 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
HDAC1 Q13547 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7710359 0.90 SMN1; SMN2 (0.48) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7707124 0.88 SMN1; SMN2 (0.48) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7707137 0.85 RAB9A (0.48) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7707522 0.83 SMN1; SMN2 (0.50) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL6988611 0.79 RAB9A (0.58) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7092338 0.79 EPHX2 (0.53) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL6989433 0.78 ROCK2 (0.52) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7139981 0.77 MEN1 (0.56) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7088422 0.77 ALDH1A1 (0.51) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL7707549 0.76 RAB9A (0.47) 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