SCHEMBL12434150

SCHEMBL12434150

NC(=O)c1cccc(OC/C=C/CC/C=C\CCl)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.48
TNKS O95271 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PRSS1 P07477 7/20 0.39
FAAH O00519 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
OPRK1 P41145 3/20 0.39
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL202108 0.86 PARP1 (0.51) PARP1TNKSPARP15PARP14PARP10
SCHEMBL202107 0.86 PARP1 (0.51) PARP1TNKSPARP15PARP14PARP10
SCHEMBL201514 0.81 FAAH (0.59) PARP1FAAH
SCHEMBL201462 0.81 FAAH (0.59) PARP1FAAH
SCHEMBL201463 0.81 FAAH (0.59) PARP1FAAH
SCHEMBL201942 0.80 PARP1 (0.57) PARP1TNKSPARP15PARP14PARP10
SCHEMBL201941 0.80 PARP1 (0.57) PARP1TNKSPARP15PARP14PARP10
SCHEMBL2562475 0.78 PARP1 (0.57) PARP1TNKSPARP15PARP14PARP10
SCHEMBL27816266 0.78 PARP1 (0.61) PARP1TNKSPARP15PARP14PARP10
SCHEMBL203644 0.77 PARP1 (0.56) PARP1TNKSPARP15PARP14PARP10

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-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 EP disclosed