SCHEMBL8064488

SCHEMBL8064488

NC(=O)Nc1cccc(-n2cccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
TBK1 Q9UHD2 2/20 0.47
IKBKE Q14164 1/20 0.46
SYK P43405 5/20 0.45
KAT6A Q92794 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
GLS O94925 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4920444 0.80 CNR1 (0.60) KMT2AMEN1
SCHEMBL4547159 0.80 LMNA (0.50) LMNATBK1IKBKESYKKAT6A
SCHEMBL31368250 0.79 LMNA (0.49) LMNATBK1SYKKAT6AKMT2A
SCHEMBL31173853 0.78 LMNA (0.56) LMNATBK1KAT6ASIRT2SIRT1
SCHEMBL2161445 0.78 LMNA (0.56) LMNATBK1KAT6ASIRT2SIRT1
Hydrochloric Acid SCHEMBL1117908 0.78 LMNA (0.49) LMNATBK1IKBKESYKKAT6A
SCHEMBL5537719 0.77 LMNA (0.59) LMNATBK1SYKKAT6AKMT2A
SCHEMBL27658507 0.76 AOC2 (0.53)
SCHEMBL27926580 0.76 LMNA (0.47) LMNATBK1SYKKAT6AKMT2A
SCHEMBL4948621 0.76 LMNA (0.47) LMNASYKKAT6AKMT2AERCC1

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
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 WO disclosed