SCHEMBL1898573

SCHEMBL1898573

Cc1ccc(-c2csc(NC(=O)c3ccsc3)c2C(=O)OC(=O)c2c(-c3ccc(Cl)c(Cl)c3)csc2NC(=O)c2ccsc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
PRNP P04156 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 6/20 0.50
TP53 P04637 2/20 0.50
THRB P10828 2/20 0.50
ANO1 Q5XXA6 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GRIN2C Q14957 1/20 0.47
PRKCZ Q05513 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL1898571 0.90 ANO1 (0.61) MEN1KMT2APRNPATML3MBTL1
SCHEMBL1953737 0.84 ANO1 (0.58) MEN1KMT2APRNPATML3MBTL1
SCHEMBL1951568 0.80 MEN1 (0.71) MEN1KMT2APRNPATML3MBTL1
SCHEMBL12314161 0.77 MEN1 (0.70) MEN1KMT2APRNPATML3MBTL1
SCHEMBL1894024 0.77 ANO1 (0.54) MEN1KMT2AMAPTTP53THRB
SCHEMBL1952997 0.74 ANO1 (0.71) ANO1
SCHEMBL1906603 0.73 MEN1 (0.55) MEN1KMT2APRNPATML3MBTL1
SCHEMBL13837638 0.71 TP53 (0.60) MEN1KMT2AMAPTTP53THRB
SCHEMBL3629317 0.71 ANO1 (0.71) ANO1
SCHEMBL13837779 0.70 MAPT (0.56) MEN1KMT2AMAPTTP53THRB

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