SCHEMBL6179652

SCHEMBL6179652

COc1nc(-c2ccccc2)cnc1NS(=O)(=O)c1cccs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 5/20 0.70
JAK2 O60674 1/20 0.52
KDM4E B2RXH2 5/20 0.50
EDNRA P25101 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.48
USP8 P40818 1/20 0.48
ALDH1A1 P00352 4/20 0.48
TNF P01375 1/20 0.47
LMNA P02545 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
CCR5 P51681 1/20 0.47
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL6181970 0.83 CCR4 (0.76) CCR4KDM4EEDNRAPOLBMAPT
SCHEMBL5102857 0.83 CCR4 (0.69) CCR4EDNRAKMT2AMEN1HTT
SCHEMBL6182958 0.82 CCR4 (0.74) CCR4KDM4EEDNRAPOLBMAPT
SCHEMBL5106090 0.82 CCR4 (1.00) CCR4KDM4EEDNRAPOLBCCR5
SCHEMBL6183745 0.80 CCR4 (0.70) CCR4KDM4EPOLBMAPTKMT2A
SCHEMBL6180658 0.79 CCR4 (0.69) CCR4KDM4EPOLBMAPTKMT2A
SCHEMBL4682088 0.78 KDM4E (0.67) CCR4KDM4EPOLBMAPTKMT2A
SCHEMBL6180252 0.77 CCR4 (0.66) CCR4KDM4EEDNRAPOLBMAPT
SCHEMBL6183896 0.75 CCR4 (0.64) CCR4KDM4EPOLBMAPTKMT2A
SCHEMBL6038672 0.71 CCR4 (0.71) CCR4KDM4EEDNRAPOLBSMN1; SMN2

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