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SCHEMBL1899342

SCHEMBL1899342

O=C(OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(Cl)Cc1ccccc1Cl)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(F)Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 15/20 0.46
▸ TP53 P04637 1/20 0.45
▸ PTPRC P08575 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPA Q15257 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ANO2 Q9NQ90 1/20 0.39
▸ MAPT P10636 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
SCHEMBL1899340 0.91 ANO1 (0.58) ANO1MEN1KMT2AANO2
SCHEMBL1899344 0.91 ANO1 (0.58) ANO1MEN1KMT2AANO2
SCHEMBL1894867 0.86 ANO1 (0.63) ANO1MEN1KMT2AANO2
SCHEMBL1895978 0.86 ANO1 (0.63) ANO1MEN1KMT2AANO2
SCHEMBL1954748 0.86 ANO1 (0.63) ANO1MEN1KMT2AANO2
SCHEMBL7944015 0.86 TP53 (0.47) ANO1TP53PTPRCPTPN2PTPN1
SCHEMBL1902065 0.85 ANO1 (0.64) ANO1MEN1KMT2AANO2
SCHEMBL12271754 0.85 TP53 (0.47) ANO1TP53PTPRCPTPN2PTPN1
SCHEMBL1897215 0.79 MEN1 (0.53) ANO1MEN1KMT2A
SCHEMBL7961769 0.75 PTPN1 (0.56) ANO1TP53PTPRCPTPN2PTPN1

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