SCHEMBL1898571

SCHEMBL1898571

Cc1ccc(-c2csc(NC(=O)c3ccsc3)c2C(=O)O)cc1.O=C(Nc1scc(-c2ccc(Cl)c(Cl)c2)c1C(=O)O)c1ccsc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 10/20 0.61
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
PRNP P04156 2/20 0.60
ATM Q13315 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 2/20 0.60
GRIN2C Q14957 1/20 0.59
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAPT P10636 1/20 0.50
TNF P01375 1/20 0.49
NOD2 Q9HC29 1/20 0.49
NOD1 Q9Y239 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL1953737 0.94 ANO1 (0.58) ANO1MEN1KMT2APRNPATM
SCHEMBL1951568 0.91 MEN1 (0.71) ANO1MEN1KMT2APRNPATM
SCHEMBL1898573 0.90 MEN1 (0.51) ANO1MEN1KMT2APRNPATM
SCHEMBL12314161 0.87 MEN1 (0.70) ANO1MEN1KMT2APRNPATM
SCHEMBL1952997 0.84 ANO1 (0.71) ANO1
SCHEMBL1906603 0.83 MEN1 (0.55) ANO1MEN1KMT2APRNPATM
SCHEMBL3629317 0.81 ANO1 (0.71) ANO1
SCHEMBL1953916 0.80 ANO1 (0.56) ANO1MEN1KMT2ARAB9AGRIN2C
SCHEMBL13819632 0.80 MEN1 (0.69) ANO1MEN1KMT2APRNPATM
SCHEMBL3628135 0.80 MEN1 (0.78) ANO1MEN1KMT2APRNPATM

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