SCHEMBL6818778

SCHEMBL6818778

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.37
RORC P51449 1/20 0.33
MAP2K1 Q02750 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
ALB P02768 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MPO P05164 1/20 0.31
RAPGEF3 O95398 2/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TMPRSS4 Q9NRS4 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
SCHEMBL6819217 0.98 PDE10A (0.37) PDE10ARORCMAP2K1S1PR1S1PR3
SCHEMBL6920744 0.93 PDE10A (0.36) PDE10ARORCS1PR1S1PR3ALB
SCHEMBL6819036 0.92 RORC (0.35) PDE10ARORCMAP2K1S1PR1S1PR3
SCHEMBL6821658 0.91 RORC (0.33) RORCMAP2K1S1PR1S1PR3ALB
SCHEMBL6818889 0.91 EGLN2 (0.34) RORCMAP2K1S1PR1S1PR3ALB
SCHEMBL6833954 0.91 RORC (0.35) PDE10ARORCMAP2K1S1PR1S1PR3
SCHEMBL6818188 0.91 PDE10A (0.36) PDE10ARORCS1PR1S1PR3ALB
SCHEMBL6818406 0.90 RORC (0.34) RORCMAP2K1S1PR1S1PR3ALB
SCHEMBL6822026 0.90 EGLN2 (0.35) RORCMAP2K1S1PR1S1PR3ALB
SCHEMBL6818615 0.90 RORC (0.35) PDE10ARORCMAP2K1S1PR1S1PR3

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