SCHEMBL2489660

SCHEMBL2489660

O=C(Nc1ccc(-c2ccccc2Cl)nc1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
KCNE1 P15382 2/20 0.44
KCNQ1 P51787 2/20 0.44
PTGDR2 Q9Y5Y4 14/20 0.42
PNLIP P16233 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
WNT3A P56704 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2492872 0.88 PTGDR2 (0.50) KCNQ3KCNQ2KCNE1KCNQ1PTGDR2
SCHEMBL2489639 0.87 PTGDR2 (0.45) KCNQ3KCNQ2KCNE1KCNQ1PTGDR2
SCHEMBL2492651 0.84 PTGDR2 (0.56) PTGDR2
SCHEMBL2489027 0.84 DEGS1 (0.50) PTGDR2MEN1KMT2A
SCHEMBL2489822 0.83 PTGDR2 (0.43) KCNQ3KCNQ2KCNE1KCNQ1PTGDR2
SCHEMBL2130633 0.83 PTGDR2 (0.65) PTGDR2
SCHEMBL2492873 0.82 PTGDR2 (0.46) PTGDR2
SCHEMBL17818060 0.81 PTGDR2 (0.51) PTGDR2
SCHEMBL2489986 0.78 PTGDR2 (0.53) PTGDR2MEN1KMT2A
SCHEMBL2489963 0.78 PTGDR2 (0.50) PTGDR2PNLIPPOLB

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-2379535-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma Inc. (US) 2011-10-26 EP disclosed