SCHEMBL8833608

SCHEMBL8833608

CCCc1cnc([N]C(=O)C2CC2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
CDK2 P24941 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNA7 P36544 1/20 0.34
SMYD3 Q9H7B4 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK5 Q00535 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL8833256 0.94 FDPS (0.36) FDPSSMN1; SMN2CDK2MAPTKDM4E
SCHEMBL8833561 0.88 SMYD3 (0.40) FDPSSMN1; SMN2CDK2MAPTKDM4E
SCHEMBL8833619 0.83 SMYD3 (0.38) FDPSSMN1; SMN2CDK2MAPTKDM4E
SCHEMBL8833783 0.82 FDPS (0.41) FDPSSMN1; SMN2CDK2MAPTKDM4E
SCHEMBL8833314 0.78 FDPS (0.40) FDPSSMN1; SMN2CDK2HSD17B10CCNE1
SCHEMBL8832893 0.75 FDPS (0.39) FDPSSMN1; SMN2CDK2MAPTKDM4E
SCHEMBL8833145 0.74 CDK2 (0.38) FDPSSMN1; SMN2CDK2CCNE1CDK5
SCHEMBL8833849 0.74 CCNE1 (0.34) CDK2CCNE1CDK5NPC1RAB9A
SCHEMBL8833431 0.69 CCNE1 (0.41) FDPSSMN1; SMN2CDK2KDM4EHSD17B10
SCHEMBL8833649 0.69 CCNE1 (0.38) SMN1; SMN2CDK2CCNE1CDK5ALDH1A1

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