SCHEMBL8833783

SCHEMBL8833783

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.41
CDK2 P24941 3/20 0.36
CCNE1 P24864 2/20 0.36
CDK5 Q00535 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
NFKB1 P19838 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL8833314 0.89 FDPS (0.40) FDPSCDK2CCNE1CDK5SMN1; SMN2
SCHEMBL8833431 0.87 CCNE1 (0.41) FDPSCDK2CCNE1CDK5SMN1; SMN2
SCHEMBL8832893 0.86 FDPS (0.39) FDPSCDK2CCNE1CDK5SMN1; SMN2
SCHEMBL8833145 0.85 CDK2 (0.38) FDPSCDK2CCNE1CDK5SMN1; SMN2
SCHEMBL8833608 0.82 FDPS (0.38) FDPSCDK2CCNE1CDK5SMN1; SMN2
SCHEMBL8834125 0.77 FDPS (0.37) FDPSCDK2CCNE1CDK5SMN1; SMN2
SCHEMBL8833256 0.77 FDPS (0.36) FDPSCDK2SMN1; SMN2ALDH1A1MEN1
SCHEMBL8833591 0.75 SMN1; SMN2 (0.38) FDPSCDK2CCNE1CDK5SMN1; SMN2
SCHEMBL8833774 0.74 FDPS (0.35) FDPSCDK2CCNE1CDK5SMN1; SMN2
SCHEMBL8833248 0.73 CCNE1 (0.36) CDK2CCNE1CDK5SMN1; SMN2TP53

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