SCHEMBL533987

SCHEMBL533987

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
ALOX5 P09917 1/20 0.33
CYP19A1 P11511 4/20 0.32
MBOAT4 Q96T53 2/20 0.32
SLC5A2 P31639 2/20 0.30
SLC5A1 P13866 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
SCHEMBL534061 0.89 AR (0.36) ARCYP19A1MBOAT4SLC5A2SLC5A1
SCHEMBL533986 0.88 AR (0.36) ARMBOAT4
SCHEMBL534055 0.84 AR (0.36) ARALOX5CYP19A1SLC5A2
SCHEMBL533998 0.83 PTGDR2 (0.40) AR
SCHEMBL534128 0.82 MAPT (0.35) AR
SCHEMBL534858 0.81 PTGDR2 (0.39) ARCYP19A1
SCHEMBL2579246 0.80 PTGDR2 (0.34) ALOX5
SCHEMBL2575500 0.80 KCNH2 (0.36) MBOAT4
SCHEMBL2581497 0.79 KCNH2 (0.34)
SCHEMBL2580577 0.79 TGFBR1 (0.30)

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