SCHEMBL21376826

SCHEMBL21376826

Cc1cccc(N[S+]([O-])c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.66
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTT P42858 1/20 0.60
KDM4A O75164 4/20 0.60
KDM4B O94953 4/20 0.60
KDM5B Q9UGL1 4/20 0.60
GRM1 Q13255 1/20 0.57
KDM5C P41229 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52

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
SCHEMBL21376819 0.89 ADORA3 (0.69) ADORA3KDM4EALDH1A1MAPTMEN1
SCHEMBL21376825 0.84 ADORA3 (0.77) ADORA3KDM4EALDH1A1MAPTMEN1
SCHEMBL663937 0.83 PHGDH (0.71) ADORA3KDM4EALDH1A1MAPTMEN1
SCHEMBL29978391 0.83 PHGDH (0.71) ADORA3KDM4EALDH1A1MAPTMEN1
SCHEMBL21376511 0.82 ADORA3 (0.68) ADORA3KDM4EALDH1A1MAPTMEN1
SCHEMBL21910766 0.76 ADORA3 (0.62) ADORA3KDM4EALDH1A1MAPTMEN1
SCHEMBL21909785 0.76 ADORA3 (0.67) ADORA3KDM4EALDH1A1MAPTMEN1
SCHEMBL16607180 0.75 KDM4E (1.00) ADORA3KDM4EALDH1A1MAPTMEN1
SCHEMBL31361484 0.75 ADORA3 (0.90) ADORA3KDM4EALDH1A1MAPTMEN1
SCHEMBL1890717 0.75 MAPT (0.74) KDM4EALDH1A1MAPTMEN1KMT2A

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-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