SCHEMBL6825878

SCHEMBL6825878

COC(=O)c1ccc(N(C(N)=O)c2ccccc2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
XDH P47989 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
HPGD P15428 4/20 0.44
LMNA P02545 3/20 0.44
EGFR P00533 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL27605683 0.89 MEN1 (0.50) MEN1KMT2AXDHCA12CA1
SCHEMBL27576158 0.84 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL27721497 0.83 MAPT (0.47) MEN1KMT2AXDHCA12CA1
SCHEMBL27605669 0.83 CA12 (0.47) MEN1KMT2AXDHCA12CA1
SCHEMBL7425744 0.78 GAA (0.50) MEN1KMT2AHPGDTSHRALDH1A1
SCHEMBL7549706 0.77 CYP3A4 (0.43) MEN1KMT2AHPGDLMNATSHR
SCHEMBL6823836 0.76 ESR1 (0.40) KMT2ACA9CA14ALDH1A1HTT
SCHEMBL9267992 0.74 NPSR1 (0.48) MEN1KMT2ACA12CA1CA2
SCHEMBL8629288 0.73 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8742129 0.73 POLB (0.46) MEN1KMT2ACA12CA1CA2

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