SCHEMBL6817481

SCHEMBL6817481

COc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccc(NC(C)=O)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
ADRB2 P07550 1/20 0.36
GPR183 P32249 1/20 0.36
APLNR P35414 1/20 0.36
S1PR5 Q9H228 1/20 0.36
HIF1A Q16665 1/20 0.35
ALB P02768 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
PAX8 Q06710 1/20 0.34
CA2 P00918 1/20 0.33
RORC P51449 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL6818304 0.98 S1PR1 (0.37) S1PR1POLBMAPTTP53ADRB2
SCHEMBL6919972 0.92 RXFP1 (0.33) S1PR1POLBMAPTTP53ALB
SCHEMBL6818246 0.91 TP53 (0.34) S1PR1POLBMAPTTP53ADRB2
SCHEMBL6818889 0.90 EGLN2 (0.34) S1PR1POLBMAPTTP53ALB
SCHEMBL6833954 0.90 RORC (0.35) S1PR1POLBMAPTTP53ALB
SCHEMBL6818600 0.90 TP53 (0.34) S1PR1POLBMAPTTP53ADRB2
SCHEMBL6822026 0.90 EGLN2 (0.35) S1PR1POLBMAPTTP53ALB
SCHEMBL6818824 0.90 HIF1A (0.37) POLBMAPTTP53HIF1AALB
SCHEMBL6821982 0.89 TP53 (0.34) S1PR1POLBMAPTTP53ADRB2
SCHEMBL6818778 0.89 PDE10A (0.37) S1PR1POLBMAPTTP53ALB

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