SCHEMBL4648882

SCHEMBL4648882

O=[N+]([O-])c1cc(O)c2c(c1)SN=C(Nc1ccccc1Cl)N2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 11/20 0.64
CXCR1 P25024 7/20 0.64
CYP2C9 P11712 1/20 0.64
SERPINE1 P05121 1/20 0.47
ADRA1D P25100 1/20 0.47
ADORA2A P29274 1/20 0.47
HTR7 P34969 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
MAPK14 Q16539 1/20 0.47
C1R P00736 1/20 0.42
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4808030 0.86 CXCR2 (0.49) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL4686262 0.86 CXCR2 (0.75) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL4696544 0.85 CXCR2 (0.48) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL4648909 0.84 CXCR2 (0.68) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL4648961 0.83 CXCR2 (0.58) CXCR2CXCR1CYP2C9MEN1KMT2A
SCHEMBL4687748 0.78 CXCR2 (0.60) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL4746435 0.78 CXCR2 (0.56) CXCR2CXCR1CYP2C9MAPTMEN1
SCHEMBL29843937 0.78 CXCR2 (1.00) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL5954935 0.78 CXCR2 (1.00) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL18953514 0.74 CXCR2 (0.46) CXCR2CXCR1CYP2C9C1RMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301351-A1 CXCL8 INHIBITOR AND PHARMACEUTICAL COMPOSITION THEREOF FOR USE IN THE TREATMENT OF SEIZURES Dompe' Farmaceutici SpA (IT) 2024-01-10 EP claimed
EP-1631559-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-08-27 EP claimed
EP-1631559-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-08 EP claimed
WO-2005000231-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 WO claimed
EP-4301351-A1 CXCL8 INHIBITOR AND PHARMACEUTICAL COMPOSITION THEREOF FOR USE IN THE TREATMENT OF SEIZURES Dompe' Farmaceutici SpA (IT) 2024-01-10 EP disclosed