SCHEMBL6181970

SCHEMBL6181970

COc1nc(C)cnc1NS(=O)(=O)c1cccs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 6/20 0.76
EDNRA P25101 1/20 0.55
KDM4E B2RXH2 6/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 4/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CCR5 P51681 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
TP53 P04637 1/20 0.49
PIK3CA P42336 1/20 0.48
MTOR P42345 1/20 0.48
ABCB11 O95342 1/20 0.48
TNF P01375 1/20 0.47

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
SCHEMBL5106090 0.86 CCR4 (1.00) CCR4EDNRAKDM4EPOLBCCR5
SCHEMBL6182958 0.86 CCR4 (0.74) CCR4EDNRAKDM4EPOLBCCR5
SCHEMBL6183745 0.83 CCR4 (0.70) CCR4KDM4EPOLBALDH1A1CCR5
SCHEMBL6179652 0.83 CCR4 (0.70) CCR4EDNRAKDM4EPOLBALDH1A1
SCHEMBL6180252 0.83 CCR4 (0.66) CCR4EDNRAKDM4EPOLBALDH1A1
SCHEMBL6180658 0.83 CCR4 (0.69) CCR4KDM4EPOLBALDH1A1HSD17B10
SCHEMBL5106483 0.81 CCR4 (0.60) CCR4EDNRACCR5ABCB11
SCHEMBL6200377 0.81 CCR4 (0.52) CCR4KDM4EPOLBALDH1A1GLA
SCHEMBL5111482 0.80 CCR4 (0.76) CCR4EDNRACCR5MEN1KMT2A
SCHEMBL6181636 0.80 CCR4 (0.51) CCR4EDNRAKDM4EPOLBALDH1A1

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