SCHEMBL8833522

SCHEMBL8833522

CCCCCC(=O)[N]c1ncc(C2CC2)s1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.33
MAPK10 P53779 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
MAPK1 P28482 1/20 0.32
DEGS1 O15121 1/20 0.32
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL8833251 0.96 SMN1; SMN2 (0.35) MAPK10SMN1; SMN2L3MBTL1CCNE1CDK2
SCHEMBL8833517 0.90 CDK2 (0.33) CCNE1CDK2CDK5CDK5R1
SCHEMBL8833248 0.84 CCNE1 (0.36) SMN1; SMN2CCNE1CDK2CDK5CDK5R1
SCHEMBL8833774 0.79 FDPS (0.35) MAPK10SMN1; SMN2L3MBTL1NPC1GLA
SCHEMBL8833145 0.78 CDK2 (0.38) MAPK10SMN1; SMN2L3MBTL1NPC1GLA
SCHEMBL8833766 0.76 CCNE1 (0.35) SMN1; SMN2CCNE1CDK2CDK5CDK5R1
SCHEMBL8833591 0.74 SMN1; SMN2 (0.38) MAPK10SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL8832893 0.73 FDPS (0.39) MAPK10SMN1; SMN2L3MBTL1CCNE1CDK2
SCHEMBL8834125 0.68 FDPS (0.37) MAPK10SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL8833783 0.62 FDPS (0.41) SMN1; SMN2L3MBTL1NPC1CCNE1CDK2

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-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP disclosed