SCHEMBL12830907

SCHEMBL12830907

C=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)C1CC(=O)c2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 13/20 0.37
▸ NPY5R Q15761 1/20 0.34
▸ HSP90AA1 P07900 2/20 0.33
▸ HSP90AB1 P08238 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31

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
SCHEMBL12756759 0.90 NPY5R (0.41) ANO1NPY5RHSP90AA1HSP90AB1MEN1
SCHEMBL7943197 0.84 ANO1 (0.54) ANO1MEN1KMT2A
SCHEMBL12756737 0.81 NPY5R (0.48) ANO1NPY5RMEN1KMT2ATP53
SCHEMBL12756733 0.77 P2RX7 (0.43) ANO1NPY5RTP53MDM2
SCHEMBL1951579 0.76 ANO1 (0.56) ANO1MEN1KMT2A
SCHEMBL12756744 0.74 P2RX7 (0.40) ANO1NPY5RMEN1KMT2ATP53
SCHEMBL12830909 0.73 ANO1 (0.38) ANO1NPY5RTP53MDM2
SCHEMBL12756892 0.73 ANO1 (0.46) ANO1MEN1KMT2A
SCHEMBL12756752 0.72 TAS1R3 (0.54) MEN1KMT2A
SCHEMBL12829854 0.72 GAA (0.43) ANO1NPY5RMEN1KMT2ATP53

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
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO disclosed
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