SCHEMBL3137620

SCHEMBL3137620

COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)c2C(=O)O)cn1.O=C(CCc1cccc(F)c1)Nc1scc(-c2ccc(Cl)nc2)c1C(=O)O.O=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 9/20 0.43
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 0.37
PKM P14618 2/20 0.37
ANO2 Q9NQ90 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 2/20 0.37
NLRP3 Q96P20 1/20 0.36
PRNP P04156 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL2184231 0.82 ANO1 (0.47) ANO1MEN1KMT2AANO2RAB9A
SCHEMBL2179982 0.81 CASP3 (0.55) ANO1CASP3SENP8SENP7SENP6
SCHEMBL2178832 0.78 KCNQ3 (0.58) ANO1CASP3SENP8SENP7SENP6
SCHEMBL2182642 0.78 ANO1 (0.53) ANO1CASP3SENP8SENP7SENP6
SCHEMBL12414182 0.76 CASP3 (0.48) ANO1CASP3SENP8SENP7SENP6
SCHEMBL15241643 0.75 TP53 (0.46) ANO1CASP3SENP8SENP7SENP6
SCHEMBL1953704 0.74 ANO1 (0.59) ANO1ANO2TP53SMN1; SMN2
SCHEMBL12434639 0.73 CASP3 (0.68) ANO1CASP3SENP8SENP7SENP6
SCHEMBL12434677 0.73 RAB9A (0.43) ANO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL12414185 0.71 CASP3 (0.71) ANO1CASP3SENP8SENP7SENP6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010025295-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-04 WO disclosed