SCHEMBL27576136

SCHEMBL27576136

NC(=O)N(c1ccccc1Br)c1ccc(Br)c2nc(C(F)(F)F)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
CSNK2A1 P68400 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31

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
SCHEMBL27576138 0.91 PARP1 (0.40) PARP1CSNK2A1KDM4EHPGDMAPT
SCHEMBL30669533 0.71 CSNK2A1 (0.56) PARP1CSNK2A1KDM4EHPGDMAPT
SCHEMBL29116821 0.71 CSNK2A1 (0.56) PARP1CSNK2A1KDM4EHPGDMAPT
SCHEMBL7865622 0.70 HTT (0.47) MAPTMEN1GAAKMT2ATDP1
SCHEMBL6816898 0.69 CSNK2A1 (0.50) PARP1CSNK2A1KDM4EHPGDMAPT
SCHEMBL27528049 0.69 SMN1; SMN2 (0.37) KDM4EHPGDMAPTMEN1GAA
SCHEMBL27535605 0.68 SMN1; SMN2 (0.39) PARP1KDM4EMAPTMEN1GAA
SCHEMBL7185410 0.66 MEN1 (0.38) KDM4EHPGDMAPTMEN1GAA
SCHEMBL27516293 0.66 KDM4E (0.38) KDM4EHPGDMAPTPOLBGAA
SCHEMBL7171381 0.65 CXCR2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1356899-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-07-03 CN disclosed