SCHEMBL4243575

SCHEMBL4243575

CCCCCc1ccc(C(=O)Nc2cccc(-c3cnc(N)n3C(=O)O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.53
PLK1 P53350 6/20 0.50
PLK3 Q9H4B4 2/20 0.46
NR1H4 Q96RI1 2/20 0.45

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
SCHEMBL4059876 0.88 PLK1 (0.48) TRPV1PLK1NR1H4
SCHEMBL4066870 0.87 PLK1 (0.49) TRPV1PLK1PLK3
SCHEMBL4236780 0.81 PLK1 (0.54) TRPV1PLK1PLK3
SCHEMBL4057257 0.78 TRPV1 (0.55) TRPV1PLK1NR1H4
SCHEMBL4060205 0.77 MAPT (0.50)
Hydrochloric Acid SCHEMBL4303740 0.77 TRPV1 (0.54) TRPV1PLK1NR1H4
SCHEMBL13655379 0.77 TRPV1 (0.56) TRPV1PLK1PLK3
SCHEMBL4054862 0.75 KDM4E (0.55)
SCHEMBL4057336 0.73 MAPT (0.55)
SCHEMBL22556340 0.73 TRPV1 (0.84) TRPV1PLK1PLK3

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
WO-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO disclosed