SCHEMBL8833591

SCHEMBL8833591

CCCCC(=O)[N]c1ncc(CC)s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
MAPK10 P53779 1/20 0.38
FDPS P14324 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CDK5 Q00535 2/20 0.35
LMNA P02545 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.32
CA1 P00915 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL8833774 0.95 FDPS (0.35) SMN1; SMN2MAPK10FDPSCCNE1CDK2
SCHEMBL8834125 0.91 FDPS (0.37) SMN1; SMN2MAPK10FDPSCCNE1CDK2
SCHEMBL8832893 0.90 FDPS (0.39) SMN1; SMN2MAPK10FDPSCCNE1CDK2
SCHEMBL8833145 0.85 CDK2 (0.38) SMN1; SMN2MAPK10FDPSCCNE1CDK2
SCHEMBL8833431 0.84 CCNE1 (0.41) SMN1; SMN2FDPSCCNE1CDK2CDK5
SCHEMBL8833079 0.79 FDPS (0.40) SMN1; SMN2FDPSCCNE1CDK2CDK5
SCHEMBL8833251 0.78 SMN1; SMN2 (0.35) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL8833783 0.75 FDPS (0.41) SMN1; SMN2FDPSCCNE1CDK2CDK5
SCHEMBL8833522 0.74 NAAA (0.33) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL8833680 0.74 SMN1; SMN2 (0.43) SMN1; SMN2FDPSCCNE1CDK2CDK5

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