SCHEMBL1891198

SCHEMBL1891198

Cc1ccc(-c2csc(NC(=O)c3scc(S(C)(=O)=O)c3Cl)c2C(=O)O)cc1.Cc1ccsc1C(=O)Nc1scc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 8/20 0.61
GRIN2C Q14957 4/20 0.53
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
PRNP P04156 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
F10 P00742 1/20 0.41

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
SCHEMBL1891199 0.92 ANO1 (0.51) ANO1GRIN2CMEN1KMT2ANPC1
SCHEMBL1952255 0.88 GRIN2C (0.61) ANO1GRIN2CMEN1KMT2ANPC1
SCHEMBL1954104 0.86 ANO1 (0.74) ANO1GRIN2CMEN1KMT2ANPC1
SCHEMBL1954521 0.81 ANO1 (0.64) ANO1
SCHEMBL1907496 0.81 ANO1 (0.83) ANO1GRIN2CMEN1KMT2ANPC1
SCHEMBL1953707 0.79 GRIN2C (0.59) ANO1GRIN2CMEN1KMT2ANPC1
SCHEMBL1953247 0.78 ANO1 (1.00) ANO1
SCHEMBL7950809 0.74 ANO1 (0.70) ANO1GRIN2CMEN1KMT2ANPC1
SCHEMBL1907632 0.74 ANO1 (0.79) ANO1GRIN2CMEN1KMT2ANPC1
SCHEMBL1897480 0.73 ANO1 (0.61) ANO1MAPT

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