SCHEMBL7737472

SCHEMBL7737472

N#Cc1ccc(NC(=C[N+](=O)[O-])Nc2ccccc2Br)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 12/20 0.67
CXCR1 P25024 7/20 0.67
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRB3 P13945 1/20 0.35
TSPO P30536 1/20 0.35
SLC6A3 Q01959 1/20 0.35
FBP1 P09467 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7938088 1.00 CXCR2 (0.67) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL8516183 0.84 CXCR2 (0.46) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL8516185 0.84 CXCR2 (0.46) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL7743014 0.81 CXCR2 (0.43) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL7743008 0.81 CXCR2 (0.43) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL3705632 0.80 CXCR2 (1.00) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL6824309 0.80 CXCR2 (1.00) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL5499098 0.78 CXCR2 (0.76) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL6817693 0.75 CXCR2 (0.70) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL6817696 0.75 CXCR2 (0.70) CXCR2CXCR1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957907-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-08-16 EP disclosed
US-6248785-B1 CHEMOKINE SENSITIVE DISEASE SMITHKLINE BEECHAM CORPORATION 2001-06-19 US disclosed
EP-0957907-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
WO-1998005317-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO disclosed