SCHEMBL7743014

SCHEMBL7743014

C=CCOc1cc(C#N)ccc1N/C(=C/[N+](=O)[O-])Nc1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 7/20 0.43
CXCR1 P25024 5/20 0.43
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LIG1 P18858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F2 P00734 1/20 0.32
GAA P10253 1/20 0.31
ADRB3 P13945 1/20 0.31
TSPO P30536 1/20 0.31
SLC6A3 Q01959 1/20 0.31
QPCTL Q9NXS2 1/20 0.31

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
SCHEMBL7743008 1.00 CXCR2 (0.43) CXCR2CXCR1MAPTALDH1A1LMNA
SCHEMBL7751145 0.87 CHRNB2 (0.43) MAPTALDH1A1LMNAPOLBPKM
SCHEMBL7751139 0.87 CHRNB2 (0.43) MAPTALDH1A1LMNAPOLBPKM
SCHEMBL6818586 0.83 CXCR2 (0.46) CXCR2CXCR1MAPTALDH1A1LMNA
SCHEMBL7737472 0.81 CXCR2 (0.67) CXCR2CXCR1MAPTALDH1A1LMNA
SCHEMBL7938088 0.81 CXCR2 (0.67) CXCR2CXCR1MAPTALDH1A1LMNA
SCHEMBL6818508 0.81 CXCR2 (0.44) CXCR2CXCR1MAPTALDH1A1LMNA
SCHEMBL6818505 0.81 CXCR2 (0.44) CXCR2CXCR1MAPTALDH1A1LMNA
SCHEMBL7751186 0.75 ALDH1A1 (0.36) CXCR2CXCR1MAPTALDH1A1LMNA
SCHEMBL6818590 0.74 CXCR2 (0.44) CXCR2CXCR1ALDH1A1POLBLIG1

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