SCHEMBL6818362

SCHEMBL6818362

COC(=O)Nc1ccc(-c2cc3onc(C(=O)Nc4ccc(C#N)cc4C(=O)O)c3cc2C#N)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.37
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
ALB P02768 2/20 0.34
LRRK2 Q5S007 1/20 0.33
S1PR1 P21453 4/20 0.33
S1PR3 Q99500 2/20 0.33
RORC P51449 1/20 0.32
PGR P06401 1/20 0.32
CETP P11597 1/20 0.32
ADRB2 P07550 1/20 0.32
GPR183 P32249 1/20 0.32
APLNR P35414 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL6818463 0.93 TP53 (0.35) ARTP53POLBMAPTTAS2R14
SCHEMBL6813999 0.93 TP53 (0.35) ARTP53POLBMAPTTAS2R14
SCHEMBL6818188 0.91 PDE10A (0.36) ARTP53POLBMAPTTAS2R14
SCHEMBL6920744 0.91 PDE10A (0.36) ARTP53POLBMAPTTAS2R14
SCHEMBL6817748 0.91 TP53 (0.34) ARTP53POLBMAPTTAS2R14
SCHEMBL6821982 0.91 TP53 (0.34) ARTP53POLBMAPTTAS2R14
SCHEMBL6818600 0.90 TP53 (0.34) ARTP53POLBMAPTTAS2R14
SCHEMBL6821790 0.89 RORC (0.35) ARTP53POLBMAPTALB
SCHEMBL6818246 0.89 TP53 (0.34) ARTP53POLBMAPTTAS2R14
SCHEMBL6914625 0.89 RORC (0.34) ARTP53POLBMAPTALB

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