SCHEMBL6183896

SCHEMBL6183896

COc1ncc(Cl)nc1NS(=O)(=O)c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 9/20 0.64
KDM4E B2RXH2 4/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.48
TP53 P04637 1/20 0.48
PIK3CA P42336 1/20 0.48
MTOR P42345 1/20 0.48
CCR5 P51681 1/20 0.47
TNF P01375 1/20 0.47
LMNA P02545 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
CCR2 P41597 1/20 0.46

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
SCHEMBL6182958 0.90 CCR4 (0.74) CCR4KDM4EPOLBMEN1MAPT
SCHEMBL6180658 0.82 CCR4 (0.69) CCR4KDM4EPOLBMEN1MAPT
SCHEMBL5103322 0.81 CCR5 (0.71) CCR4MEN1KMT2ASMN1; SMN2PIK3CA
SCHEMBL6182891 0.80 KDM4E (0.48) CCR4KDM4EMEN1MAPTHTT
SCHEMBL6180252 0.80 CCR4 (0.66) CCR4KDM4EPOLBMEN1MAPT
SCHEMBL5103105 0.80 CCR4 (0.63) CCR4MEN1MAPTHTTKMT2A
SCHEMBL6181633 0.80 KDM4E (0.53) CCR4KDM4EPOLBMEN1MAPT
SCHEMBL6181970 0.79 CCR4 (0.76) CCR4KDM4EPOLBMEN1MAPT
SCHEMBL6197275 0.79 CCR4 (0.44) CCR4KDM4EPOLBMEN1MAPT
SCHEMBL4682088 0.79 KDM4E (0.67) CCR4KDM4EPOLBMEN1MAPT

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