SCHEMBL4696544

SCHEMBL4696544

COc1cc([N+](=O)[O-])cc2c1NC(Nc1ccccc1Cl)=NS2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.48
CXCR1 P25024 3/20 0.48
CYP2C9 P11712 2/20 0.48
MAPT P10636 5/20 0.48
HPGD P15428 2/20 0.48
PKM P14618 1/20 0.40
RORC P51449 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
C1R P00736 1/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.38
RECQL P46063 2/20 0.38
MEN1 O00255 2/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
SERPINE1 P05121 1/20 0.37
ADRA1D P25100 1/20 0.37
ADORA2A P29274 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
SCHEMBL4648882 0.85 CXCR2 (0.64) CXCR2CXCR1CYP2C9MAPTHPGD
SCHEMBL4698274 0.79 CXCR2 (0.74) CXCR2CXCR1CYP2C9MAPTHPGD
SCHEMBL18953554 0.76 CXCR2 (0.51) CXCR2CXCR1MAPTHPGDPKM
SCHEMBL18953652 0.75 CXCR2 (0.42) CXCR2CXCR1MAPTNPC1KMT2A
SCHEMBL18953334 0.75 CXCR2 (0.44) CXCR2CXCR1MAPTNPC1KMT2A
SCHEMBL18953455 0.74 CXCR2 (0.43) CXCR2CXCR1MAPTNPC1KMT2A
SCHEMBL18953374 0.74 CXCR2 (0.43) CXCR2CXCR1MAPTHPGDRAB9A
SCHEMBL4648909 0.73 CXCR2 (0.68) CXCR2CXCR1CYP2C9MAPTHPGD
SCHEMBL4686262 0.72 CXCR2 (0.75) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL18953514 0.72 CXCR2 (0.46) CXCR2CXCR1CYP2C9MAPTPKM

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-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