SCHEMBL27478409

SCHEMBL27478409

C=CCOc1cc(C#N)ccc1N(C(N)=S)c1ccccc1Br

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
LIG1 P18858 1/20 0.32
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL27479938 0.87 HPGD (0.31) KDM4EPKMLIG1HPGDALDH1A1
SCHEMBL27576498 0.77 CXCR2 (0.42) ALDH1A1
SCHEMBL6818586 0.72 CXCR2 (0.46) PKMLIG1ALDH1A1
SCHEMBL6818590 0.72 CXCR2 (0.44) KDM4ELIG1ALDH1A1
SCHEMBL506595 0.70 ALDH1A1 (0.42) KDM4EPKMLIG1HPGDALDH1A1
SCHEMBL6818541 0.68 HPGD (0.33) KDM4ELIG1HPGDALDH1A1CA12
SCHEMBL6550839 0.67 TRPV4 (0.38) KDM4EHPGDALDH1A1CA12CA1
SCHEMBL6818508 0.66 CXCR2 (0.44) KDM4ELIG1HPGDALDH1A1TSHR
SCHEMBL6818505 0.66 CXCR2 (0.44) KDM4ELIG1HPGDALDH1A1TSHR
SCHEMBL21728097 0.66 AR (0.44) KDM4EHPGDALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1152675-C IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-06-09 CN disclosed
CN-1232398-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-10-20 CN disclosed