SCHEMBL6180252

SCHEMBL6180252

COc1nc(C)c(C)nc1NS(=O)(=O)c1cccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.66
KDM4E B2RXH2 8/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 2/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
POLB P06746 1/20 0.51
TNF P01375 1/20 0.50
LMNA P02545 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.49
PIK3CA P42336 1/20 0.48

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
SCHEMBL4682088 0.85 KDM4E (0.67) CCR4KDM4EKMT2AMEN1MAPT
SCHEMBL6181970 0.83 CCR4 (0.76) CCR4KDM4EKMT2AMEN1MAPT
SCHEMBL6180658 0.81 CCR4 (0.69) CCR4KDM4EKMT2AMEN1MAPT
SCHEMBL5617518 0.80 HTT (0.58) CCR4KDM4EKMT2AMEN1MAPT
SCHEMBL6183896 0.80 CCR4 (0.64) CCR4KDM4EKMT2AMEN1MAPT
SCHEMBL6182958 0.80 CCR4 (0.74) CCR4KDM4EKMT2AMEN1MAPT
SCHEMBL5106090 0.80 CCR4 (1.00) CCR4KDM4EPOLBEDNRACCR5
SCHEMBL5106108 0.77 CCR5 (0.79) CCR4KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL6183745 0.77 CCR4 (0.70) CCR4KDM4EKMT2AMEN1MAPT
SCHEMBL6179652 0.77 CCR4 (0.70) CCR4KDM4EKMT2AMEN1MAPT

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