SCHEMBL6920744

SCHEMBL6920744

CNC(=O)c1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccc(NC(=O)OC)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ALB P02768 2/20 0.33
AR P10275 4/20 0.33
S1PR1 P21453 4/20 0.32
S1PR3 Q99500 2/20 0.32
RORC P51449 1/20 0.31
CETP P11597 1/20 0.31
TAS2R14 Q9NYV8 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
EGLN2 Q96KS0 1/20 0.31
AGPAT2 O15120 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
SCHEMBL6818188 0.98 PDE10A (0.36) PDE10ATP53POLBMAPTALB
SCHEMBL6817748 0.93 TP53 (0.34) TP53POLBMAPTALBAR
SCHEMBL6818778 0.93 PDE10A (0.37) PDE10ATP53POLBMAPTALB
SCHEMBL6813999 0.92 TP53 (0.35) TP53POLBMAPTALBAR
SCHEMBL6818463 0.91 TP53 (0.35) TP53POLBMAPTALBAR
SCHEMBL6818362 0.91 AR (0.37) TP53POLBMAPTALBAR
SCHEMBL6819217 0.91 PDE10A (0.37) PDE10ATP53POLBMAPTALB
SCHEMBL6821982 0.90 TP53 (0.34) TP53POLBMAPTALBAR
SCHEMBL6818246 0.89 TP53 (0.34) TP53POLBMAPTALBAR
SCHEMBL6818600 0.88 TP53 (0.34) TP53POLBMAPTALBAR

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