SCHEMBL534857

SCHEMBL534857

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

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
CYP2A6 P11509 1/20 0.32
AR P10275 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL534920 0.89 PTGDR2 (0.49) PTGDR2CYP2A6ARHPGDSMN1; SMN2
SCHEMBL19614973 0.89 PTGDR2 (0.44) PTGDR2HPGD
SCHEMBL534858 0.89 PTGDR2 (0.39) PTGDR2CYP2A6AR
SCHEMBL534009 0.88 PTGDR2 (0.32) PTGDR2SMN1; SMN2
SCHEMBL534813 0.84 PTGDR2 (0.58) PTGDR2
SCHEMBL534686 0.83 PTGDR2 (0.49) PTGDR2HPGDSMN1; SMN2
SCHEMBL533986 0.81 AR (0.36) AR
SCHEMBL534921 0.78 PTGDR2 (0.49) PTGDR2CYP2A6AR
SCHEMBL534010 0.77 PTGDR2 (0.32) PTGDR2SMN1; SMN2
SCHEMBL534794 0.76 PTGDR2 (0.51) PTGDR2

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