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SCHEMBL6605601

SCHEMBL6605601

COc1nc(C)c(C)nc1NS(=O)(=O)c1ccc(Cl)s1.COc1nccnc1NS(=O)(=O)c1ccc(Cl)s1.O=S(=O)(Nc1nccnc1OCc1ccccn1)c1ccc(Cl)s1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 2/20 0.54
▸ CCR4 P51679 12/20 0.51
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NFKBIA P25963 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 1/20 0.40

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
SCHEMBL5106613 0.88 CCR4 (0.47) CCR5CCR4KMT2AMEN1USP2
SCHEMBL5106108 0.82 CCR5 (0.79) CCR5CCR4KMT2AMEN1NFKBIA
SCHEMBL5111149 0.81 CCR4 (0.48) CCR5CCR4KMT2AMEN1ALDH1A1
SCHEMBL5113238 0.80 CCR5 (0.70) CCR5CCR4KMT2AMEN1NFKBIA
SCHEMBL6184367 0.74 KDM4E (0.55) CCR4KMT2AMEN1USP2ALDH1A1
SCHEMBL4683809 0.73 CCR5 (0.75) CCR5CCR4KMT2AMEN1ALDH1A1
SCHEMBL5099483 0.72 CCR5 (1.00) CCR5CCR4KMT2AMEN1NFKBIA
SCHEMBL6038494 0.71 KMT2A (0.50) KMT2AMEN1ALDH1A1
SCHEMBL5103322 0.71 CCR5 (0.71) CCR5CCR4KMT2AMEN1PABPC1
SCHEMBL5111482 0.71 CCR4 (0.76) CCR5CCR4KMT2AMEN1NFKBIA

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