SCHEMBL6182891

SCHEMBL6182891

O=S(=O)(Nc1nc(Cl)cnc1OCc1ccccn1)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
CCR4 P51679 3/20 0.45
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
NFKBIA P25963 1/20 0.42
RELA Q04206 1/20 0.42
GLO1 Q04760 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CCR2 P41597 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.40
KDM1A O60341 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MMP2 P08253 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6184367 0.86 KDM4E (0.55) KDM4ECCR4GAATSHRNFKBIA
SCHEMBL5111149 0.86 CCR4 (0.48) KDM4ECCR4GAANFKBIARELA
SCHEMBL6197275 0.82 CCR4 (0.44) KDM4ECCR4GAATSHRALDH1A1
SCHEMBL6181633 0.81 KDM4E (0.53) KDM4ECCR4GAATSHRALDH1A1
SCHEMBL6183896 0.80 CCR4 (0.64) KDM4ECCR4ALDH1A1CCR2SMN1; SMN2
SCHEMBL1731933 0.80 CCR4 (0.67) CCR4
SCHEMBL5106613 0.75 CCR4 (0.47) KDM4ECCR4GAATSHRNFKBIA
SCHEMBL6185129 0.75 CCR4 (0.37) CCR4GAAALDH1A1SMN1; SMN2USP2
SCHEMBL6182958 0.74 CCR4 (0.74) KDM4ECCR4SMN1; SMN2MEN1MAPT
SCHEMBL1733169 0.71 CCR4 (0.71) CCR4

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-1458715-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-12-07 EP disclosed