SCHEMBL6816893

SCHEMBL6816893

Nc1ccc(Br)c2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CSNK2A1 P68400 2/20 0.50
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
KDM4E B2RXH2 3/20 0.37
PARP1 P09874 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 2/20 0.35
PDE4B Q07343 2/20 0.34
PDE3A Q14432 2/20 0.34
ALDH1A1 P00352 3/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL6816898 0.87 CSNK2A1 (0.50) MAPTMEN1KMT2AGAAPOLB
SCHEMBL29116821 0.86 CSNK2A1 (0.56) MAPTMEN1KMT2AGAAPOLB
SCHEMBL30669533 0.86 CSNK2A1 (0.56) MAPTMEN1KMT2AGAAPOLB
SCHEMBL2172029 0.76 CSNK2A1 (0.50) MAPTMEN1KMT2AGAAPOLB
SCHEMBL7087257 0.73 MAPT (0.59) MAPTMEN1KMT2AGAAPOLB
SCHEMBL7087262 0.73 MAPT (0.47) MAPTMEN1KMT2AGAAPOLB
SCHEMBL2170731 0.70 PDE4B (0.53) MAPTMEN1KMT2AGAAPOLB
SCHEMBL1663645 0.69 MEN1 (0.97) MAPTMEN1KMT2AGAAPOLB
SCHEMBL6816721 0.68 HTT (0.47) MAPTMEN1KMT2AGAATDP1
SCHEMBL7865623 0.68 HTT (0.47) MAPTMEN1KMT2AGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185265-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-1185265-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
US-6300325-B1 HETEROCYCLIC RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION 2001-10-09 US disclosed
WO-2000076501-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0991406-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-12-13 EP disclosed
EP-0991406-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-12 EP disclosed
WO-1998032439-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-30 WO disclosed