SCHEMBL6818600

SCHEMBL6818600

COC(=O)Nc1cc2c(C(=O)Nc3ccc(C#N)cc3C(=O)O)noc2cc1-c1ccc(NC(C)=O)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ALB P02768 2/20 0.34
RORC P51449 1/20 0.33
MAP2K1 Q02750 1/20 0.33
S1PR1 P21453 4/20 0.32
S1PR3 Q99500 2/20 0.32
AR P10275 3/20 0.32
TAS2R14 Q9NYV8 1/20 0.31
CETP P11597 1/20 0.31
PAX8 Q06710 1/20 0.31
ADRB2 P07550 1/20 0.31
GPR183 P32249 1/20 0.31
APLNR P35414 1/20 0.31
S1PR5 Q9H228 1/20 0.31
HIF1A Q16665 1/20 0.31
MPO P05164 1/20 0.31

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
SCHEMBL6818246 0.98 TP53 (0.34) TP53POLBMAPTALBRORC
SCHEMBL6818463 0.96 TP53 (0.35) TP53POLBMAPTALBRORC
SCHEMBL6821982 0.95 TP53 (0.34) TP53POLBMAPTALBRORC
SCHEMBL6833954 0.95 RORC (0.35) TP53POLBMAPTALBRORC
SCHEMBL6813999 0.94 TP53 (0.35) TP53POLBMAPTALBRORC
SCHEMBL6821790 0.91 RORC (0.35) TP53POLBMAPTALBRORC
SCHEMBL6818304 0.91 S1PR1 (0.37) TP53POLBMAPTALBRORC
SCHEMBL6914625 0.90 RORC (0.34) TP53POLBMAPTALBRORC
SCHEMBL6817481 0.90 S1PR1 (0.36) TP53POLBMAPTALBRORC
SCHEMBL6818362 0.90 AR (0.37) TP53POLBMAPTALBRORC

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed