SCHEMBL2212879

SCHEMBL2212879

Cc1nc(C)c(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(=O)O)c2)s1.Cc1nc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(=O)O)c2)cn1C.Cn1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(=O)O)c2)n1.Cn1cnc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(=O)O)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
FNTA P49354 8/20 0.35
FNTB P49356 8/20 0.35
OXTR P30559 3/20 0.34
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34
AVPR1B P47901 1/20 0.34
PGGT1B P53609 5/20 0.33
GRM2 Q14416 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL3377153 0.81 LMNA (0.56) MEN1KMT2ALMNAALDH1A1OXTR
SCHEMBL2212915 0.80 MEN1 (0.58) MEN1KMT2ALMNAALDH1A1FNTA
SCHEMBL3379804 0.80 LMNA (0.57) MEN1KMT2ALMNAALDH1A1OXTR
SCHEMBL3377068 0.79 LMNA (0.58) MEN1KMT2ALMNAALDH1A1GRM2
SCHEMBL2212615 0.77 FNTA (0.51) MEN1KMT2ALMNAALDH1A1FNTA
SCHEMBL2211492 0.73 MEN1 (0.53) MEN1KMT2ALMNAALDH1A1FNTA
SCHEMBL2214180 0.72 MEN1 (0.54) MEN1KMT2ALMNAALDH1A1
SCHEMBL2211059 0.71 CXCR3 (0.40) MEN1KMT2ALMNAALDH1A1
SCHEMBL304042 0.70 MAPT (0.46) MEN1KMT2ALMNAALDH1A1OXTR
SCHEMBL3378155 0.70 FNTA (0.44) MEN1KMT2ALMNAALDH1A1FNTA

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-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP disclosed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO disclosed