SCHEMBL6818889

SCHEMBL6818889

CC(=O)Nc1ccc(-c2cc3c(C(=O)Nc4ccc(C#N)cc4C(=O)O)noc3cc2C)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.34
RORC P51449 1/20 0.34
MAP2K1 Q02750 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
ALB P02768 2/20 0.33
TAS2R14 Q9NYV8 2/20 0.33
LRRK2 Q5S007 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MPO P05164 1/20 0.32
RAPGEF3 O95398 2/20 0.32
RAPGEF4 Q8WZA2 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
SCHEMBL6822026 0.98 EGLN2 (0.35) EGLN2RORCMAP2K1S1PR1S1PR3
SCHEMBL6818086 0.93 EGLN2 (0.35) EGLN2RORCMAP2K1S1PR1S1PR3
SCHEMBL6833954 0.92 RORC (0.35) RORCMAP2K1S1PR1S1PR3ALB
SCHEMBL6818778 0.91 PDE10A (0.37) RORCMAP2K1S1PR1S1PR3ALB
SCHEMBL6817481 0.90 S1PR1 (0.36) RORCS1PR1ALBLRRK2TP53
SCHEMBL6818406 0.90 RORC (0.34) RORCMAP2K1S1PR1S1PR3ALB
SCHEMBL6819217 0.90 PDE10A (0.37) RORCMAP2K1S1PR1S1PR3ALB
SCHEMBL6818246 0.90 TP53 (0.34) RORCMAP2K1S1PR1S1PR3ALB
SCHEMBL6821658 0.90 RORC (0.33) RORCMAP2K1S1PR1S1PR3ALB
SCHEMBL6821719 0.90 KMT2A (0.35) RORCMAP2K1S1PR1S1PR3ALB

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