SCHEMBL21909786

SCHEMBL21909786

O=C(Nc1nc(-c2ccccn2)cs1)c1cccc([S+]([O-])N2CCc3ccccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.56
KDM4A O75164 4/20 0.55
KDM4B O94953 4/20 0.55
KDM5B Q9UGL1 4/20 0.55
KDM4E B2RXH2 5/20 0.54
MAPT P10636 5/20 0.54
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 1/20 0.54
KDM5C P41229 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
NCOA1 Q15788 2/20 0.53
TDP1 Q9NUW8 3/20 0.52
POLB P06746 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
GRM1 Q13255 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50

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
SCHEMBL21909747 0.87 NPC1 (0.57) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL21910766 0.83 ADORA3 (0.62) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL21376323 0.83 L3MBTL1 (0.49) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL21376581 0.80 ADORA3 (0.57) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL29978632 0.79 L3MBTL1 (0.69) KDM4AKDM4BKDM5BKDM4EMAPT
SCHEMBL666048 0.79 L3MBTL1 (0.69) KDM4AKDM4BKDM5BKDM4EMAPT
SCHEMBL666388 0.77 SMN1; SMN2 (0.79) ADORA3KDM4AKDM4BKDM5BMAPT
SCHEMBL21910106 0.77 ADORA3 (0.55) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL663488 0.76 L3MBTL1 (0.67) KDM4AKDM4BKDM5BKDM4EMAPT
SCHEMBL29977722 0.76 L3MBTL1 (0.67) KDM4AKDM4BKDM5BKDM4EMAPT

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
EP-3626240-A1 PROCESS OF PREPARATION OF A N-ARYL BENZYL SULFONAMIDE SUBSTITUTED WITH AN AMIDO GROUP StemSynergy Therapeutics, Inc. (US) 2020-03-25 EP disclosed