SCHEMBL5594733

SCHEMBL5594733

NC(=O)N(c1ccccc1Br)c1cccc(N)c1O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
ESR1 P03372 2/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
LCK P06239 1/20 0.30
CXCR1 P25024 1/20 0.30
CXCR2 P25025 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
SCHEMBL27500469 0.83 ESR1 (0.31) ESR1
SCHEMBL6826215 0.83 ALB (0.38) ESR1MAPK11MAPK14
SCHEMBL27519344 0.83 CXCR2 (0.37) ESR1MAPK14CXCR1CXCR2
SCHEMBL27519456 0.82 MMP2 (0.44) MMP2ALOX15
SCHEMBL27516293 0.80 KDM4E (0.38) ESR1ALOX15TSHRCXCR1CXCR2
SCHEMBL27535605 0.80 SMN1; SMN2 (0.39) ESR1
SCHEMBL6825645 0.80 CXCR2 (0.39) TSHRCXCR1CXCR2
SCHEMBL27566072 0.79 GPR35 (0.47) CXCR1CXCR2
SCHEMBL27499546 0.78 ALDH1A1 (0.32) ESR1
SCHEMBL27587734 0.78 CXCR2 (0.45) ESR1TSHRCXCR1CXCR2

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-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 CN disclosed
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN disclosed
CN-1215990-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-05-05 CN disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 WO disclosed