SCHEMBL7710312

SCHEMBL7710312

CSc1cc2c(C3CCOC3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.50
TP53 P04637 3/20 0.50
MAPT P10636 6/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 4/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 4/20 0.44
GFER P55789 1/20 0.44
KHK P50053 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 3/20 0.41
EPHX2 P34913 1/20 0.41
MAPK1 P28482 1/20 0.40
POLB P06746 3/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL7707522 0.90 SMN1; SMN2 (0.50) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL7707775 0.86 SMN1; SMN2 (0.48) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL7701969 0.86 SMN1; SMN2 (0.48) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL7710359 0.84 SMN1; SMN2 (0.48) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL7137687 0.81 RAB9A (0.52) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL7707161 0.80 EPHX2 (0.51) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL7707803 0.78 ROCK2 (0.48) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL7707120 0.77 SMN1; SMN2 (0.46) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL7707778 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL7707740 0.76 RAB9A (0.55) SMN1; SMN2TP53MAPTRAB9ANPC1

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