SCHEMBL6185693

SCHEMBL6185693

O=S(=O)(Nc1nc(Cl)cnc1OCc1ccco1)C1=CC(Cl)=CCC1=S

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 14/20 0.37
POLB P06746 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 2/20 0.30
TP53 P04637 1/20 0.30
RECQL P46063 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6185147 0.86 CCR4 (0.42) CCR4
SCHEMBL6185129 0.83 CCR4 (0.37) CCR4ALDH1A1MAPTMEN1KMT2A
SCHEMBL6182695 0.80 CCR4 (0.51) CCR4
SCHEMBL6183036 0.80 CCR4 (0.34) CCR4
SCHEMBL6181633 0.76 KDM4E (0.53) CCR4POLBALDH1A1KDM4EMAPT
SCHEMBL5103326 0.76 CCR4 (0.48) CCR4ALDH1A1KDM4EMAPTMEN1
SCHEMBL6183754 0.74 CCR4 (0.54) CCR4
SCHEMBL6183411 0.71 USP2 (0.35) CCR4POLBALDH1A1MAPTSMN1; SMN2
SCHEMBL6180554 0.71 CCR4 (0.51) CCR4POLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL6184819 0.70 CCR4 (0.49) 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 claimed