SCHEMBL3345546

SCHEMBL3345546

Cc1c(Cc2ccc(-n3cccn3)cc2)c(=O)n(C)c2c(Cl)ccc(OCC(=O)O)c12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
RORC P51449 11/20 0.39
CHRM1 P11229 4/20 0.38
SCN9A Q15858 1/20 0.36
PTGER2 P43116 1/20 0.36
KLKB1 P03952 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL3351455 0.93 PTGDR2 (0.43) PTGDR2RORCCHRM1SCN9AKLKB1
SCHEMBL3344793 0.90 PTGDR2 (0.58) PTGDR2RORCCHRM1PTGER2KLKB1
SCHEMBL3345372 0.84 TDP1 (0.44) PTGDR2RORC
SCHEMBL3345117 0.82 PTGDR2 (0.50) PTGDR2RORCCHRM1KLKB1CYP3A4
SCHEMBL2575125 0.81 PTGDR2 (0.52) PTGDR2RORC
SCHEMBL2572235 0.81 PTGDR2 (0.54) PTGDR2RORCCHRM1SCN9APTGER2
SCHEMBL13423755 0.80 PTGDR2 (0.44) PTGDR2RORC
SCHEMBL2577052 0.79 PTGDR2 (0.61) PTGDR2RORC
SCHEMBL3980836 0.77 PTGDR2 (0.51) PTGDR2RORCCHRM1PTGER2KLKB1
SCHEMBL3345051 0.76 P2RX3 (0.42) PTGDR2RORC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO claimed
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed