SCHEMBL1726833

SCHEMBL1726833

O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)C2CCc3ccccc3N2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 4/20 0.60
KDM4B O94953 4/20 0.60
KDM5B Q9UGL1 4/20 0.60
KDM5C P41229 2/20 0.60
MAPK1 P28482 2/20 0.58
NPC1 O15118 2/20 0.58
USP2 O75604 1/20 0.58
ALOX15 P16050 1/20 0.58
ADORA3 P0DMS8 8/20 0.58
GRM1 Q13255 1/20 0.56
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL1728489 0.93 KDM4A (0.62) KDM4AKDM4BKDM5BKDM5CMAPK1
SCHEMBL1726841 0.90 PHGDH (0.60) KDM4EMAPTLMNASMN1; SMN2MEN1
SCHEMBL1728252 0.89 ADORA3 (0.63) KDM4AKDM4BKDM5BKDM5CMAPK1
SCHEMBL1726474 0.88 L3MBTL1 (0.53) KDM4AKDM4BKDM5BKDM5CMAPK1
SCHEMBL1728020 0.86 KMT2A (0.60) USP2ADORA3KDM4EMAPTLMNA
SCHEMBL1728487 0.84 MEN1 (0.51) MAPK1KDM4EMAPTHTTLMNA
SCHEMBL1728185 0.80 MAPT (0.55) NPC1KDM4EMAPTHTTLMNA
SCHEMBL1727760 0.80 MEN1 (0.44) KDM4EMAPTLMNASMN1; SMN2MEN1
SCHEMBL1728035 0.78 RAB9A (0.52) NPC1LMNAMEN1KMT2ARAB9A
SCHEMBL1727755 0.78 NAMPT (0.53) USP2KDM4EHTTLMNASMN1; 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 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