SCHEMBL534060

SCHEMBL534060

Cc1c(Cc2ccc(C#N)cc2)c(OC(F)F)nc2c(F)ccc([O])c12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.33
MBOAT4 Q96T53 2/20 0.32
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LOXL2 Q9Y4K0 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
SCHEMBL533986 0.89 AR (0.36) ARMBOAT4
SCHEMBL534061 0.88 AR (0.36) ARPTGDR2MBOAT4GAASMN1; SMN2
SCHEMBL534048 0.83 PTGDR2 (0.49) ARPTGDR2
SCHEMBL2579396 0.82 PTGDR2 (0.34) PTGDR2
SCHEMBL534798 0.81 PTGDR2 (0.41) ARPTGDR2
SCHEMBL534920 0.81 PTGDR2 (0.49) ARPTGDR2SMN1; SMN2
SCHEMBL2577124 0.80 PTGDR2 (0.54) PTGDR2
SCHEMBL2572974 0.80 PTGDR2 (0.38) PTGDR2MBOAT4
SCHEMBL533987 0.76 AR (0.36) ARMBOAT4
SCHEMBL533998 0.73 PTGDR2 (0.40) ARPTGDR2

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