SCHEMBL7489083

SCHEMBL7489083

N#Cc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)c(O)c1.N#Cc1ccc(NC(=O)Nc2cccc(Cl)c2Cl)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.69
CXCR1 P25024 2/20 0.69
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPT P10636 6/20 0.58
LMNA P02545 3/20 0.58
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPK14 Q16539 1/20 0.47
MET P08581 1/20 0.47
KDR P35968 1/20 0.47
GAA P10253 3/20 0.46
POLB P06746 2/20 0.46
CNR1 P21554 2/20 0.46
GRIK1 P39086 1/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL5595077 0.90 CXCR2 (0.85) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL5595003 0.89 CXCR2 (0.66) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL7496226 0.84 CXCR2 (0.77) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL7489930 0.83 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL7514963 0.81 CXCR2 (0.73) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL5594865 0.78 CXCR2 (0.71) CXCR2CXCR1MEN1KMT2AHPGD
SCHEMBL3709514 0.78 CXCR2 (0.71) CXCR2CXCR1MEN1KMT2AHPGD
SCHEMBL5595159 0.77 CXCR2 (0.62) CXCR2CXCR1MEN1KMT2AMAPT
SCHEMBL5595100 0.77 MEN1 (0.61) CXCR2MEN1KMT2AMAPTLMNA
SCHEMBL7063167 0.76 CXCR2 (0.46) CXCR2CXCR1MEN1KMT2AMAPT

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-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed