SCHEMBL7949474

SCHEMBL7949474

C=C(CCc1cccs1)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 19/20 0.55
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ANO2 Q9NQ90 1/20 0.48

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
SCHEMBL2775889 0.90 ANO1 (0.58) ANO1MEN1MAPTKMT2AANO2
SCHEMBL1954491 0.82 KMT2A (0.54) ANO1MEN1MAPTKMT2A
SCHEMBL1795098 0.77 ANO1 (0.64) ANO1ANO2
SCHEMBL1954102 0.77 ANO1 (0.61) ANO1MEN1KMT2AANO2
SCHEMBL1954403 0.77 ANO1 (0.60) ANO1ANO2
SCHEMBL28599811 0.77 MEN1 (0.79) ANO1MEN1MAPTKMT2AANO2
SCHEMBL1954278 0.75 ANO1 (0.65) ANO1MEN1KMT2AANO2
SCHEMBL1954847 0.75 ANO1 (0.68) ANO1MEN1KMT2AANO2
SCHEMBL1953118 0.75 ANO1 (0.58) ANO1MEN1KMT2AANO2
SCHEMBL1952182 0.75 KDM4E (0.57) ANO1MEN1MAPTKMT2AANO2

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-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 — — WO disclosed
Send feedback