SCHEMBL2582465

SCHEMBL2582465

CC(C)c1nc2c(Cl)ccc([O])c2c(OC(F)F)c1Cc1ccc(-n2cccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.48
USP1 O94782 7/20 0.36
RORC P51449 5/20 0.34
POLB P06746 1/20 0.34
CCNE1 P24864 3/20 0.34
CDK2 P24941 3/20 0.34
DCTPP1 Q9H773 1/20 0.34
SCN9A Q15858 1/20 0.33
NOTUM Q6P988 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
SCHEMBL2571383 0.86 PTGDR2 (0.68) PTGDR2USP1RORCSCN9A
SCHEMBL2571346 0.84 PTGDR2 (0.58) PTGDR2USP1RORCSCN9A
SCHEMBL2574953 0.82 PTGDR2 (0.44) PTGDR2RORCDCTPP1SCN9ANOTUM
SCHEMBL2568500 0.77 PTGDR2 (0.81) PTGDR2USP1RORCCCNE1CDK2
SCHEMBL2570635 0.77 RORC (0.37) PTGDR2USP1RORCCCNE1CDK2
SCHEMBL2574616 0.75 PTGDR2 (0.69) PTGDR2USP1RORCCCNE1CDK2
SCHEMBL27780421 0.75 PTGDR2 (0.41) PTGDR2USP1RORCCCNE1CDK2
SCHEMBL2581536 0.75 RORC (0.47) RORC
SCHEMBL27893548 0.75 PTGDR2 (0.42) PTGDR2USP1RORCCCNE1CDK2
SCHEMBL2576343 0.74 PTGDR2 (0.39) PTGDR2USP1RORCPOLBCCNE1

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
EP-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP claimed