SCHEMBL1728252

SCHEMBL1728252

COc1ccc2c(c1)CCC(S(=O)(=O)c1ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc1)N2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.63
KDM4A O75164 4/20 0.56
KDM4B O94953 4/20 0.56
KDM5B Q9UGL1 4/20 0.56
KDM5C P41229 2/20 0.56
MAPK1 P28482 2/20 0.52
NPC1 O15118 1/20 0.52
USP2 O75604 1/20 0.52
ALOX15 P16050 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HTT P42858 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
PSMD14 O00487 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL1726833 0.89 KDM4A (0.60) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL1728489 0.83 KDM4A (0.62) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL1726474 0.79 L3MBTL1 (0.53) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL1726841 0.79 PHGDH (0.60) MAPTLMNASMN1; SMN2KDM4EMEN1
SCHEMBL1728020 0.78 KMT2A (0.60) ADORA3USP2MAPTLMNASMN1; SMN2
SCHEMBL662890 0.77 ADORA3 (0.63) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL665571 0.76 ADORA3 (0.78) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL1728487 0.76 MEN1 (0.51) MAPK1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL18997294 0.75 ADORA3 (0.80) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL29978560 0.75 ADORA3 (0.75) ADORA3KDM4AKDM4BKDM5BKDM5C

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