SCHEMBL8516185

SCHEMBL8516185

N#Cc1ccc(NC(=C[N+](=O)[O-])Nc2ccccn2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.46
CXCR1 P25024 2/20 0.46
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
NPC1 O15118 3/20 0.39
HTT P42858 2/20 0.38
HSD11B1 P28845 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8516183 1.00 CXCR2 (0.46) CXCR2CXCR1MAPTLMNAPKM
SCHEMBL7737472 0.84 CXCR2 (0.67) CXCR2CXCR1MAPTLMNAMEN1
SCHEMBL7938088 0.84 CXCR2 (0.67) CXCR2CXCR1MAPTLMNAMEN1
SCHEMBL7751145 0.83 CHRNB2 (0.43) MAPTLMNAPKMMEN1KMT2A
SCHEMBL7751139 0.83 CHRNB2 (0.43) MAPTLMNAPKMMEN1KMT2A
SCHEMBL6836869 0.70 KMT2A (0.68) MAPTLMNAPKMMEN1KMT2A
SCHEMBL7743008 0.68 CXCR2 (0.43) CXCR2CXCR1MAPTLMNAPKM
SCHEMBL7743014 0.68 CXCR2 (0.43) CXCR2CXCR1MAPTLMNAPKM
SCHEMBL6823227 0.67 KMT2A (0.67) CXCR2CXCR1MAPTLMNAMEN1
SCHEMBL28438459 0.66 RAB9A (0.59) CXCR2CXCR1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948330-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-12-01 EP disclosed
EP-0948330-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-13 EP disclosed
WO-1998005328-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO disclosed