SCHEMBL2577516

SCHEMBL2577516

Cc1c(Cc2ccc(-n3ccc(C4CC4)n3)cc2)c(OC(F)F)nc2c(F)ccc(O)c12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
USP1 O94782 7/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2574521 0.91 USP1 (0.32) MGLLUSP1NPC1RAB9ASMN1; SMN2
SCHEMBL2577512 0.90 PTGDR2 (0.37) PTGDR2MGLLFAAHUSP1NPC1
SCHEMBL2572487 0.86 PTGDR2 (0.53) PTGDR2MGLLFAAHUSP1
SCHEMBL2576049 0.84 PTGDR2 (0.37) PTGDR2
SCHEMBL3666571 0.84 PTGDR2 (0.53) PTGDR2MGLLFAAHUSP1
SCHEMBL2576429 0.83 PTGDR2 (0.44) PTGDR2MGLLFAAHUSP1
SCHEMBL2574519 0.81 USP1 (0.33) MGLLUSP1NPC1RAB9ASMN1; SMN2
SCHEMBL2572499 0.78 PTGDR2 (0.44) PTGDR2MGLLUSP1
SCHEMBL534061 0.76 AR (0.36) PTGDR2SMN1; SMN2
SCHEMBL2572975 0.76 PTGDR2 (0.38) 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