SCHEMBL1896409

SCHEMBL1896409

O=C(OC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)C1CC1)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C1Cc2cc(Cl)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 2/20 0.42
▸ ANO1 Q5XXA6 3/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.41
▸ MAPT P10636 6/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ PTPRC P08575 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38

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
SCHEMBL1896408 0.93 ANO1 (0.50) GLSANO1
SCHEMBL1950210 0.83 ANO1 (0.55) GLSANO1
SCHEMBL1954085 0.78 ANO1 (0.53) GLSANO1CASP3SENP8SENP7
SCHEMBL12271719 0.76 ANO1 (0.57) ANO1MEN1KMT2A
SCHEMBL1954895 0.74 ANO1 (0.54) ANO1ALDH1A1MAPTNPSR1HTT
SCHEMBL1898226 0.71 CASP3 (0.44) ANO1CASP3SENP8SENP7SENP6
SCHEMBL12756756 0.70 GLS (0.49) GLSANO1ALDH1A1HTTLMNA
SCHEMBL12271221 0.67 MEN1 (0.56) GLSANO1CASP3SENP8SENP7
SCHEMBL23920621 0.67 KMT2A (0.58) GLSALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL12830901 0.66 GLS (0.46) GLSANO1ALDH1A1HTTLMNA

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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