SCHEMBL534920

SCHEMBL534920

CCc1nc2c(F)ccc([O])c2c(OC(F)F)c1Cc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
AR P10275 1/20 0.32
CYP2A6 P11509 1/20 0.32
PARP1 P09874 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GHSR Q92847 1/20 0.30

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
SCHEMBL534857 0.89 PTGDR2 (0.39) PTGDR2ARCYP2A6HPGDSMN1; SMN2
SCHEMBL534921 0.88 PTGDR2 (0.49) PTGDR2ARCYP2A6PARP1GHSR
SCHEMBL534794 0.87 PTGDR2 (0.51) PTGDR2
SCHEMBL534080 0.84 PTGDR2 (0.51) PTGDR2PARP1
SCHEMBL533926 0.84 PTGDR2 (0.70) PTGDR2
SCHEMBL534031 0.82 PTGDR2 (0.59) PTGDR2HPGD
SCHEMBL534006 0.81 PTGDR2 (0.50) PTGDR2SMN1; SMN2
SCHEMBL534060 0.81 AR (0.36) PTGDR2ARSMN1; SMN2
SCHEMBL19614973 0.80 PTGDR2 (0.44) PTGDR2HPGD
SCHEMBL534009 0.77 PTGDR2 (0.32) PTGDR2SMN1; SMN2

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-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP claimed