SCHEMBL307512

SCHEMBL307512

O=C(NC1CC1)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)c1.O=C(NC1CCCC1)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.48
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SPR P35270 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.46
HSD11B1 P28845 3/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NAMPT P43490 1/20 0.45

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
SCHEMBL2186628 0.99 GRM5 (0.49) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL301712 0.97 GRM5 (0.52) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL2188728 0.97 SPR (0.49) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL2246857 0.85 MEN1 (0.65) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL3379160 0.84 LMNA (0.49) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL303264 0.84 LMNA (0.51) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL2209547 0.83 LMNA (0.43) GRM5KMT2ASPRALDH1A1HSD11B1
SCHEMBL2209550 0.82 GRM5 (0.38) GRM5MEN1KMT2ASPRHSD11B1
SCHEMBL302902 0.82 LMNA (0.51) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL301955 0.82 LMNA (0.49) MEN1KMT2ALMNATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500836-A 2012-01-12 JP claimed
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP claimed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO claimed