SCHEMBL4726065

SCHEMBL4726065

Nc1ccc(Oc2ccccc2-c2ccnc([AsH2])n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
IKBKB O14920 11/20 0.43
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
MAOA P21397 1/20 0.39
KDM1A O60341 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL580394 0.86 NCOA1 (0.54) NCOA1NCOA3IKBKBMEN1APAF1
SCHEMBL4718101 0.82 MEN1 (0.44) MEN1APAF1KMT2AFEN1
SCHEMBL974439 0.80 IKBKB (0.48) NCOA1NCOA3IKBKBKCNH2SCN5A
SCHEMBL28501185 0.77 HSP90AA1 (0.53) NCOA1NCOA3IKBKBALOX5APFEN1
SCHEMBL30507528 0.77 HSP90AA1 (0.53) NCOA1NCOA3IKBKBALOX5APFEN1
SCHEMBL1143083 0.75 NCOA1 (0.78) NCOA1NCOA3MEN1APAF1KMT2A
SCHEMBL29992912 0.75 NCOA1 (0.78) NCOA1NCOA3MEN1APAF1KMT2A
SCHEMBL2463736 0.73 NCOA1 (0.75) NCOA1NCOA3MEN1APAF1KMT2A
SCHEMBL7257609 0.73 NCOA1 (0.75) NCOA1NCOA3MEN1APAF1KMT2A
SCHEMBL580833 0.70 CLK1 (0.49) IKBKBMEN1KMT2AALOX5APFEN1

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
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO disclosed