SCHEMBL4648961

SCHEMBL4648961

Oc1cc(Cl)cc2c1NC(Nc1ccccc1Cl)=NS2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 18/20 0.58
CXCR1 P25024 5/20 0.58
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL5955072 0.90 CXCR2 (0.47) CXCR2CXCR1CYP2C9
SCHEMBL18953514 0.88 CXCR2 (0.46) CXCR2CXCR1CYP2C9KMT2A
SCHEMBL18953471 0.88 CXCR2 (0.59) CXCR2CXCR1
SCHEMBL18953469 0.88 CXCR2 (0.59) CXCR2CXCR1CYP2C9
SCHEMBL18953618 0.88 CXCR2 (0.59) CXCR2CXCR1
SCHEMBL18953362 0.86 CXCR2 (0.43) CXCR2CXCR1MEN1KMT2A
SCHEMBL18953337 0.85 CXCR2 (0.44) CXCR2CXCR1CYP2C9KMT2A
SCHEMBL18953524 0.85 CXCR2 (0.44) CXCR2CXCR1CYP2C9KMT2A
SCHEMBL18953385 0.85 CXCR2 (0.61) CXCR2CXCR1KMT2A
SCHEMBL18953566 0.85 CXCR2 (0.61) CXCR2CXCR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1631559-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-08-27 EP disclosed
EP-1631559-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-08 EP disclosed
WO-2005000231-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 WO disclosed