SCHEMBL6181636

SCHEMBL6181636

Cc1cnc(NS(=O)(=O)c2cccs2)c(OCc2cccnn2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.51
KDM4E B2RXH2 11/20 0.42
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 3/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
NFKBIA P25963 1/20 0.40
RELA Q04206 1/20 0.40
GLO1 Q04760 1/20 0.40
POLB P06746 1/20 0.40
EDNRA P25101 1/20 0.40
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.39
ABCB11 O95342 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL5098509 0.85 CCR4 (0.53) CCR4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6200377 0.83 CCR4 (0.52) CCR4KDM4EALDH1A1HSD17B10GLA
SCHEMBL6181970 0.80 CCR4 (0.76) CCR4KDM4EALDH1A1HSD17B10GLA
SCHEMBL1732951 0.79 CCR4 (0.67) CCR4
SCHEMBL6182213 0.75 CCR4 (0.39) CCR4KMT2AEDNRAABCB11MEN1
SCHEMBL6184367 0.73 KDM4E (0.55) CCR4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6038672 0.70 CCR4 (0.71) CCR4KDM4EALDH1A1POLBEDNRA
SCHEMBL6182891 0.70 KDM4E (0.48) CCR4KDM4EALDH1A1HSD17B10TSHR
SCHEMBL6180658 0.69 CCR4 (0.69) CCR4KDM4EALDH1A1HSD17B10TSHR
SCHEMBL5112845 0.69 CCR4 (0.55) CCR4KDM4EALDH1A1HPGDKMT2A

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