SCHEMBL5043915

SCHEMBL5043915

CCCCCCCCc1ccc(NC(=O)c2ccc(CNCc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.60
TRPV1 Q8NER1 8/20 0.56
KDM4E B2RXH2 2/20 0.54
PLK3 Q9H4B4 1/20 0.53
S1PR2 O95136 1/20 0.53
S1PR4 O95977 1/20 0.53
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
NR1H4 Q96RI1 1/20 0.51
RORC P51449 1/20 0.51
PTGS1 P23219 2/20 0.50
NPC1 O15118 1/20 0.50
GALR3 O60755 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL1856443 1.00 PLK1 (0.60) PLK1TRPV1KDM4EPLK3S1PR2
SCHEMBL5043914 0.87 PLK1 (0.59) PLK1TRPV1KDM4EPLK3RORC
SCHEMBL5039945 0.87 PLK1 (0.59) PLK1TRPV1KDM4EPLK3RORC
SCHEMBL1854267 0.86 PLK1 (0.58) PLK1TRPV1KDM4EPLK3NR1H4
SCHEMBL1854194 0.86 PLK1 (0.58) PLK1TRPV1KDM4EPLK3NR1H4
SCHEMBL1858703 0.85 PLK1 (0.57) PLK1TRPV1KDM4EPLK3NR1H4
SCHEMBL1858706 0.85 PLK1 (0.57) PLK1TRPV1KDM4EPLK3NR1H4
SCHEMBL1855980 0.85 PLK1 (0.57) PLK1TRPV1KDM4EPLK3NR1H4
SCHEMBL1855979 0.85 PLK1 (0.57) PLK1TRPV1KDM4EPLK3NR1H4
SCHEMBL4966334 0.85 S1PR1 (0.57) PLK1KDM4ES1PR2S1PR4S1PR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed