SCHEMBL6032191

SCHEMBL6032191

CCCCCc1ccc(CNC(=O)c2ccc(C[As](C(=O)c3ccc(C(F)(F)F)cc3)c3ccc(O)c(C(=O)O)c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 10/20 0.50
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
EPHX2 P34913 2/20 0.43
LSS P48449 1/20 0.42
PLK3 Q9H4B4 5/20 0.41
TRPV1 Q8NER1 1/20 0.41
MAPK14 Q16539 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
PPARD Q03181 1/20 0.40

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
SCHEMBL2466243 0.81 PLK1 (0.53) PLK1KAT8PPARGPPARAEPHX2
SCHEMBL2470089 0.78 STAT3 (0.67) PLK1KAT8LSS
SCHEMBL2472789 0.78 PLK1 (0.54) PLK1KAT8PPARGPPARAEPHX2
SCHEMBL2470498 0.73 STAT3 (0.57) PLK1PPARGPPARAEPHX2LSS
SCHEMBL2468230 0.70 KAT8 (0.52) PLK1KAT8PLK3TRPV1
SCHEMBL2468737 0.70 PLK1 (0.50) PLK1KAT8LSS
SCHEMBL4321965 0.69 LSS (0.57) PLK1PPARGPPARAEPHX2LSS
SCHEMBL2468215 0.68 KAT8 (0.47) PLK1KAT8TRPV1
SCHEMBL6022102 0.68 LSS (0.47) PLK1PPARGPPARAEPHX2LSS
SCHEMBL6032331 0.68 KAT8 (0.48) PLK1KAT8PLK3TRPV1

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
EP-1656139-A1 ARYL DICARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-17 EP claimed
WO-2005011685-A1 ARYL DICARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO claimed