SCHEMBL1894897

SCHEMBL1894897

CC(C)(C)C(Cc1ccccc1)C(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O.COc1ccc(-c2csc(NC(=O)CCc3ccccc3)c2C(=O)O)cc1.O=C(CCCCc1ccccc1)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O.O=C(CCc1ccccc1)Nc1scc(-c2ccc(O)cc2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 11/20 0.46
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GRIN2C Q14957 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ PTPN1 P18031 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 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
SCHEMBL1894890 0.91 ANO1 (0.43) ANO1MEN1KMT2AMAPTGRIN2C
SCHEMBL1954508 0.82 ANO1 (0.57) ANO1MEN1KMT2AGRIN2C
SCHEMBL1951512 0.79 ANO1 (0.57) ANO1MEN1KMT2A
SCHEMBL1952340 0.79 MEN1 (0.64) ANO1MEN1KMT2AMAPTGRIN2C
SCHEMBL1895836 0.77 ANO1 (0.56) ANO1MEN1KMT2AMAPTGRIN2C
SCHEMBL1953118 0.77 ANO1 (0.58) ANO1MEN1KMT2A
SCHEMBL1954102 0.77 ANO1 (0.61) ANO1MEN1KMT2AALDH1A1
SCHEMBL1954783 0.76 HCAR2 (0.57) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL1954403 0.73 ANO1 (0.60) ANO1
SCHEMBL1795098 0.72 ANO1 (0.64) ANO1

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
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