SCHEMBL6825645

SCHEMBL6825645

N#Cc1cccc(N(C(N)=O)c2ccccc2Br)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 7/20 0.39
CXCR1 P25024 4/20 0.39
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DYRK1A Q13627 1/20 0.31
ADRB3 P13945 1/20 0.31
TSPO P30536 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
ESR2 Q92731 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
SLC9A1 P19634 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL2053650 0.86 CXCR2 (0.48) CXCR2CXCR1ALDH1A1GAAMAPT
SCHEMBL27516965 0.84 CXCR2 (0.50) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL27498640 0.84 CXCR2 (0.43) CXCR2ALDH1A1TSHRGAASMN1; SMN2
SCHEMBL27566180 0.82 CXCR2 (0.37) CXCR2CXCR1ALDH1A1GAAMAPT
SCHEMBL27517283 0.80 ALDH1A1 (0.48) ALDH1A1TSHRGAASMN1; SMN2
SCHEMBL5594733 0.80 MMP2 (0.39) CXCR2CXCR1TSHR
SCHEMBL6823307 0.79 CXCR1 (0.34) CXCR2CXCR1ALDH1A1GAAMAPT
SCHEMBL6826215 0.78 ALB (0.38) ALDH1A1GAASMN1; SMN2DYRK1A
SCHEMBL27500469 0.78 ESR1 (0.31)
SCHEMBL27519344 0.78 CXCR2 (0.37) CXCR2CXCR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 CN disclosed
EP-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed