SCHEMBL6185129

SCHEMBL6185129

O=S(=O)(Nc1nc(Cl)cnc1OCc1ccccn1)C1=CC(Cl)=CCC1=S

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 11/20 0.37
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL6183411 0.89 USP2 (0.35) CCR4NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6185693 0.83 CCR4 (0.37) CCR4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6183036 0.82 CCR4 (0.34) CCR4
SCHEMBL6182695 0.80 CCR4 (0.51) CCR4
SCHEMBL6182213 0.76 CCR4 (0.39) CCR4MEN1KMT2A
SCHEMBL6182891 0.75 KDM4E (0.48) CCR4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1731933 0.75 CCR4 (0.67) CCR4
SCHEMBL5111149 0.75 CCR4 (0.48) CCR4NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6183754 0.74 CCR4 (0.54) CCR4
SCHEMBL6180554 0.73 CCR4 (0.51) CCR4SMN1; SMN2KMT2AALDH1A1

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