SCHEMBL7940030

SCHEMBL7940030

N#Cc1ccc(NC(=O)Nc2ccccc2N)c(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.50
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
PTGES2 Q9H7Z7 2/20 0.47
CCR2 P41597 1/20 0.46
GPR27 Q9NS67 2/20 0.46
ACLY P53396 2/20 0.44
AVPR2 P30518 1/20 0.43
KAT6A Q92794 2/20 0.42
HDAC3 O15379 2/20 0.42
SLC22A12 Q96S37 1/20 0.42
SLC16A3 O15427 1/20 0.42

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
SCHEMBL7557174 0.91 PTGES2 (0.45) HDAC1CXCR1CXCR2PTGES2CCR2
SCHEMBL7496445 0.89 ACLY (0.52) CXCR1CXCR2PTGES2CCR2GPR27
SCHEMBL7490402 0.86 GPR27 (0.51) CXCR1CXCR2PTGES2CCR2GPR27
SCHEMBL7487824 0.86 TBXA2R (0.50) CXCR1CXCR2PTGES2CCR2ACLY
SCHEMBL3709166 0.86 CXCR2 (0.63) CXCR1CXCR2PTGES2CCR2GPR27
SCHEMBL7493701 0.85 STAT3 (0.51) CXCR1CXCR2PTGES2CCR2GPR27
SCHEMBL7491182 0.84 GPR27 (0.51) CXCR1CXCR2PTGES2CCR2GPR27
SCHEMBL7555940 0.84 SLC22A12 (0.52) CXCR1CXCR2PTGES2CCR2GPR27
SCHEMBL7487912 0.84 CXCR1 (0.45) CXCR1CXCR2PTGES2CCR2GPR27
SCHEMBL7487915 0.84 CXCR1 (0.45) CXCR1CXCR2PTGES2CCR2GPR27

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
US-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed