SCHEMBL533986

SCHEMBL533986

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
MBOAT4 Q96T53 2/20 0.32
DCTPP1 Q9H773 1/20 0.32
P2RX3 P56373 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
SCHEMBL534060 0.89 AR (0.36) ARMBOAT4
SCHEMBL533987 0.88 AR (0.36) ARMBOAT4
SCHEMBL533998 0.83 PTGDR2 (0.40) AR
SCHEMBL534128 0.82 MAPT (0.35) AR
SCHEMBL2582687 0.82 ROCK2 (0.35)
SCHEMBL534857 0.81 PTGDR2 (0.39) AR
SCHEMBL2574953 0.80 PTGDR2 (0.44) DCTPP1
SCHEMBL2579240 0.80 PTGDR2 (0.34)
SCHEMBL2570608 0.80 KCNH2 (0.36) MBOAT4
SCHEMBL2581492 0.80 KCNH2 (0.34)

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