SCHEMBL6604764

SCHEMBL6604764

COc1nc(Br)cnc1NS(=O)(=O)c1cccs1.COc1nc(C)cnc1NS(=O)(=O)c1ccc(Cl)s1.O=S(=O)(Nc1ncc(Br)nc1Br)c1ccc(Cl)s1.O=S(=O)(Nc1ncc(Br)nc1OCc1ccco1)c1ccc(Cl)s1.O=S(=O)(Nc1ncc(Br)nc1Oc1ccccc1)c1ccc(Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 16/20 0.52
CCR5 P51681 2/20 0.52
EDNRA P25101 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL5103019 0.89 CCR4 (0.65) CCR4CCR5KDM4EMEN1KMT2A
SCHEMBL5111658 0.80 CCR4 (0.68) CCR4CCR5MEN1KMT2A
SCHEMBL5105623 0.76 CCR4 (0.72) CCR4CCR5EDNRAMEN1KMT2A
SCHEMBL5105223 0.72 CCR4 (1.00) CCR4CCR5EDNRA
SCHEMBL5106090 0.72 CCR4 (1.00) CCR4CCR5EDNRAKDM4E
SCHEMBL5617358 0.72 KDM4E (0.45) CCR4CCR5KDM4EMEN1KMT2A
SCHEMBL5111482 0.71 CCR4 (0.76) CCR4CCR5EDNRAMEN1KMT2A
SCHEMBL6181970 0.71 CCR4 (0.76) CCR4CCR5EDNRAKDM4EMEN1
SCHEMBL6039005 0.71 CCR4 (0.73) CCR4CCR5EDNRAMEN1KMT2A
SCHEMBL5617402 0.70 KDM4E (0.54) CCR4KDM4EMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458715-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-09-22 EP claimed
WO-2003051870-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-06-26 WO claimed