SCHEMBL4649385

SCHEMBL4649385

Oc1cc(Cl)cc2c1NC(NC1CCCC1)=NS2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.36
IL1B P01584 2/20 0.34
NLRP3 Q96P20 2/20 0.34
RIPK1 Q13546 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CXCR1 P25024 1/20 0.31
NT5E P21589 1/20 0.31
S1PR1 P21453 1/20 0.31
TYR P14679 1/20 0.30
KMT5B Q4FZB7 1/20 0.30
KMT5C Q86Y97 1/20 0.30

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
SCHEMBL18953567 0.74 CXCR2 (0.46) CXCR2CXCR1NT5E
SCHEMBL18953662 0.73 CXCR2 (0.33) CXCR2CXCR1
SCHEMBL18953399 0.73 CXCR2 (0.56) CXCR2CXCR1NT5E
SCHEMBL5954222 0.72 CXCR2 (0.59) CXCR2CXCR1NT5E
SCHEMBL7070580 0.72 MEN1 (0.33) RIPK1MEN1KMT2AKMT5BKMT5C
SCHEMBL18953569 0.72 CXCR2 (0.42) CXCR2CXCR1NT5E
SCHEMBL8652429 0.71 HTR5A (0.39) RIPK1MEN1KMT2AKMT5BKMT5C
SCHEMBL18953537 0.71 CXCR2 (0.58) CXCR2CXCR1NT5E
SCHEMBL18953672 0.71 CXCR2 (0.44) CXCR2MEN1KMT2ACXCR1NT5E
SCHEMBL18953483 0.71 NT5E (0.58) CXCR2MEN1KMT2ACXCR1NT5E

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