SCHEMBL3409723

SCHEMBL3409723

Cn1cnc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C(=O)NC3CCC3)c2)c1.Cn1cnc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C(=O)NC3CCCC3)c2)c1.Cn1cnc(S(=O)(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CTSD P07339 2/20 0.41
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 2/20 0.41
HSD11B1 P28845 3/20 0.40
GRM5 P41594 3/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39

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
SCHEMBL303898 0.96 MEN1 (0.49) MEN1KMT2AL3MBTL1HSD17B10NPC1
SCHEMBL303633 0.96 MEN1 (0.47) MEN1KMT2AL3MBTL1HSD17B10NPC1
SCHEMBL302166 0.93 MEN1 (0.44) MEN1KMT2AHSD17B10NPC1RAB9A
SCHEMBL2214713 0.85 MEN1 (0.45) MEN1KMT2AL3MBTL1HSD17B10NPC1
SCHEMBL304106 0.84 MEN1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL303353 0.83 LMNA (0.43) MEN1KMT2AKDM4ESMN1; SMN2CTSD
SCHEMBL2211492 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1
SCHEMBL3377043 0.83 MEN1 (0.47) MEN1KMT2AL3MBTL1HSD17B10NPC1
SCHEMBL302949 0.83 MEN1 (0.49) MEN1KMT2AL3MBTL1HSD17B10NPC1
SCHEMBL3378381 0.82 MEN1 (0.42) MEN1KMT2ASMN1; SMN2

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-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO disclosed