SCHEMBL1891199

SCHEMBL1891199

Cc1ccc(-c2csc(NC(=O)c3scc(S(C)(=O)=O)c3Cl)c2C(=O)OC(=O)c2c(-c3ccc(C(F)(F)F)cc3)csc2NC(=O)c2sccc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.51
TP53 P04637 3/20 0.46
THRB P10828 3/20 0.46
GRIN2C Q14957 2/20 0.43
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
F10 P00742 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
PTPN1 P18031 1/20 0.38
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1891198 0.92 ANO1 (0.61) ANO1TP53THRBGRIN2CMEN1
SCHEMBL1952255 0.79 GRIN2C (0.61) ANO1GRIN2CMEN1KMT2ANPC1
SCHEMBL1954104 0.77 ANO1 (0.74) ANO1GRIN2CMEN1KMT2ANPC1
SCHEMBL1954521 0.73 ANO1 (0.64) ANO1
SCHEMBL1907496 0.72 ANO1 (0.83) ANO1GRIN2CMEN1KMT2ANPC1
SCHEMBL7950809 0.71 ANO1 (0.70) ANO1TP53THRBGRIN2CMEN1
SCHEMBL1953707 0.71 GRIN2C (0.59) ANO1GRIN2CMEN1KMT2ANPC1
SCHEMBL1953247 0.69 ANO1 (1.00) ANO1
SCHEMBL1894024 0.66 ANO1 (0.54) ANO1TP53THRBMEN1KMT2A
SCHEMBL15479092 0.66 F10 (0.55) GRIN2CMEN1KMT2ANPC1RAB9A

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