SCHEMBL8833079

SCHEMBL8833079

CCc1cnc([N]C(C)=O)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
SMYD3 Q9H7B4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 2/20 0.30
DAO P14920 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8833431 0.84 CCNE1 (0.41) FDPSCCNE1CDK2CDK5SMYD3
SCHEMBL8834125 0.81 FDPS (0.37) FDPSCCNE1CDK2CDK5SMYD3
SCHEMBL8833680 0.80 SMN1; SMN2 (0.43) FDPSCCNE1CDK2CDK5SMYD3
SCHEMBL8833591 0.79 SMN1; SMN2 (0.38) FDPSCCNE1CDK2CDK5SMYD3
SCHEMBL8833561 0.79 SMYD3 (0.40) FDPSCCNE1CDK2CDK5SMYD3
SCHEMBL8833327 0.78 ALDH1A1 (0.39) FDPSCCNE1CDK2CDK5SMYD3
SCHEMBL8833774 0.78 FDPS (0.35) FDPSCCNE1CDK2CDK5SMYD3
SCHEMBL8833619 0.77 SMYD3 (0.38) FDPSCCNE1CDK2CDK5SMYD3
SCHEMBL8834023 0.75 CCNE1 (0.38) FDPSCCNE1CDK2CDK5LMNA
SCHEMBL8833334 0.75 POLB (0.44) SMN1; SMN2TSHRNPC1RAB9ALMNA

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