SCHEMBL7707137

SCHEMBL7707137

Cc1cc2cc(C3CCCO3)ccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.48
SMN1; SMN2 Q16637 10/20 0.48
NPC1 O15118 10/20 0.48
MAPT P10636 6/20 0.48
TP53 P04637 4/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 6/20 0.46
GFER P55789 1/20 0.46
HTT P42858 3/20 0.43
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL7707115 0.90 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL7707516 0.88 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL7707191 0.85 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL7704577 0.83 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL6988611 0.79 RAB9A (0.58) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL7092338 0.79 EPHX2 (0.53) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL6989433 0.78 ROCK2 (0.52) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL7139981 0.77 MEN1 (0.56) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL7088422 0.77 ALDH1A1 (0.51) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL7710313 0.76 HDAC1 (0.54) RAB9ASMN1; SMN2NPC1MAPTTP53

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