SCHEMBL21376529

SCHEMBL21376529

CN(c1ccc(OCc2ccccc2)cc1)[S+]([O-])c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 8/20 0.58
▸ KDM4A O75164 3/20 0.56
▸ KDM4B O94953 3/20 0.56
▸ KDM5B Q9UGL1 3/20 0.56
▸ MAPT P10636 5/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ HTT P42858 3/20 0.54
▸ KDM5C P41229 1/20 0.54
▸ GRM1 Q13255 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ USP2 O75604 1/20 0.46

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
SCHEMBL21376526 0.89 ADORA3 (0.74) ADORA3KDM4AKDM4BKDM5BMAPT
SCHEMBL21909785 0.89 ADORA3 (0.67) ADORA3KDM4AKDM4BKDM5BMAPT
SCHEMBL21376813 0.86 GRM1 (0.71) ADORA3KDM4AKDM4BKDM5BMAPT
SCHEMBL21376816 0.86 ADORA3 (0.71) ADORA3KDM4AKDM4BKDM5BMAPT
SCHEMBL29978901 0.85 KDM4A (0.61) ADORA3KDM4AKDM4BKDM5BMAPT
SCHEMBL664229 0.85 KDM4A (0.61) ADORA3KDM4AKDM4BKDM5BMAPT
SCHEMBL21376823 0.84 ADORA3 (0.58) ADORA3KDM4AKDM4BKDM5BMAPT
SCHEMBL21376797 0.84 ADORA3 (0.60) ADORA3KDM4AKDM4BKDM5BMAPT
SCHEMBL21909810 0.82 ADORA3 (0.65) ADORA3KDM4AKDM4BKDM5BMAPT
SCHEMBL21376614 0.79 ADORA3 (0.63) ADORA3KDM4AKDM4BKDM5BMAPT

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-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
EP-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 — — EP disclosed
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