SCHEMBL1895872

SCHEMBL1895872

Cc1ccc(-c2csc(NC(=O)c3nc4ccccc4o3)c2C(=O)O)cc1F.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1nc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 3/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
MEN1 O00255 10/20 0.51
KMT2A Q03164 10/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
TP53 P04637 3/20 0.49
TNF P01375 1/20 0.47
PRNP P04156 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
MAPT P10636 1/20 0.46
NLRP3 Q96P20 1/20 0.44

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
SCHEMBL1954089 0.96 MEN1 (0.51) ANO1CASP3SENP8SENP7SENP6
SCHEMBL1895875 0.92 TP53 (0.52) ANO1CASP3SENP8SENP7SENP6
SCHEMBL1953087 0.90 MEN1 (0.55) ANO1CASP3SENP8SENP7SENP6
SCHEMBL1894769 0.88 MEN1 (0.50) ANO1CASP3SENP8SENP7SENP6
SCHEMBL1952324 0.85 MEN1 (0.48) ANO1CASP3SENP8SENP7SENP6
SCHEMBL1908454 0.85 ANO1 (0.50) ANO1MEN1KMT2ANPC1RAB9A
SCHEMBL1951770 0.85 ANO1 (0.48) ANO1CASP3SENP8SENP7SENP6
SCHEMBL1897405 0.85 MEN1 (0.51) ANO1CASP3SENP8SENP7SENP6
SCHEMBL12271012 0.85 MEN1 (0.48) ANO1CASP3SENP8SENP7SENP6
SCHEMBL6929092 0.84 MEN1 (0.46) ANO1CASP3SENP8SENP7SENP6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321303-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2011-05-18 EP disclosed
WO-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 WO disclosed