SCHEMBL1729498

SCHEMBL1729498

Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 4/20 0.69
KDM4B O94953 4/20 0.69
KDM5B Q9UGL1 4/20 0.69
KDM5C P41229 2/20 0.69
ADORA3 P0DMS8 8/20 0.67
GRM1 Q13255 1/20 0.61
KDM4E B2RXH2 2/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 2/20 0.61
HTT P42858 1/20 0.61
NPC1 O15118 1/20 0.61
USP2 O75604 1/20 0.61
ALOX15 P16050 1/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PHGDH O43175 2/20 0.57

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
SCHEMBL663937 0.84 PHGDH (0.71) KDM4AKDM4BKDM5BKDM5CADORA3
SCHEMBL29978391 0.84 PHGDH (0.71) KDM4AKDM4BKDM5BKDM5CADORA3
SCHEMBL665571 0.82 ADORA3 (0.78) KDM4AKDM4BKDM5BKDM5CADORA3
SCHEMBL663017 0.80 ADORA3 (0.70) KDM4AKDM4BKDM5BKDM5CADORA3
SCHEMBL31361484 0.78 ADORA3 (0.90) KDM4AKDM4BKDM5BKDM5CADORA3
SCHEMBL663246 0.78 MEN1 (0.71) KDM4AKDM4BKDM5BKDM5CADORA3
SCHEMBL19763217 0.77 ADORA3 (0.74) KDM4AKDM4BKDM5BKDM5CADORA3
SCHEMBL31361475 0.77 ADORA3 (0.81) KDM4AKDM4BKDM5BKDM5CADORA3
SCHEMBL18997298 0.77 KDM4A (0.72) KDM4AKDM4BKDM5BKDM5CADORA3
SCHEMBL3401849 0.77 SLC2A1 (0.74) KDM4AKDM4BKDM5BADORA3GRM1

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-2403499-A2 METHODS AND COMPOSITIONS USEFUL IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL Stemsynergy Therapeutics, Inc (US) 2012-01-11 EP disclosed
WO-2010101964-A2 METHODS AND COMPOSITIONS USEFUL IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS, INC (US) 2010-09-10 WO disclosed