SCHEMBL2579246

SCHEMBL2579246

Cc1c(Cc2ccc(-n3cc(Cl)cn3)cc2)c(OC(F)F)nc2c(Cl)ccc(O)c12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR4 P46093 2/20 0.31
ALOX5 P09917 1/20 0.30
CYP3A4 P08684 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
SCHEMBL2579240 0.89 PTGDR2 (0.34) PTGDR2GPR4CYP3A4
SCHEMBL2580083 0.88 GPR4 (0.32) GPR4
SCHEMBL2570820 0.85 PTGDR2 (0.50) PTGDR2
SCHEMBL2581497 0.82 KCNH2 (0.34)
SCHEMBL2570648 0.82 PTGDR2 (0.41) PTGDR2
SCHEMBL2574521 0.80 USP1 (0.32)
SCHEMBL2576049 0.80 PTGDR2 (0.37) PTGDR2GPR4
SCHEMBL533987 0.80 AR (0.36) ALOX5
SCHEMBL2579403 0.79
SCHEMBL2575500 0.78 KCNH2 (0.36) 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-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP claimed