SCHEMBL8562162

SCHEMBL8562162

CCN(CC)c1ccc(NC(SC)=C(C#N)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
TSHR P16473 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
RAB9A P51151 4/20 0.51
NOX1 Q9Y5S8 3/20 0.51
NPC1 O15118 3/20 0.51
MAPT P10636 7/20 0.49
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
MCL1 Q07820 1/20 0.46
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 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
SCHEMBL9178120 0.85 TP53 (0.54) TP53L3MBTL1TSHRMEN1KMT2A
SCHEMBL9178115 0.85 TP53 (0.54) TP53L3MBTL1TSHRMEN1KMT2A
SCHEMBL9635849 0.74 MAPT (0.47) L3MBTL1TSHRMEN1KMT2ARAB9A
SCHEMBL15271139 0.74 TP53 (0.67) TP53L3MBTL1TSHRMEN1KMT2A
SCHEMBL15271141 0.74 TP53 (0.67) TP53L3MBTL1TSHRMEN1KMT2A
SCHEMBL15278966 0.74 TP53 (0.67) TP53L3MBTL1TSHRMEN1KMT2A
SCHEMBL7281443 0.72 RAB9A (0.52) TP53L3MBTL1MEN1KMT2ARAB9A
SCHEMBL7281436 0.72 RAB9A (0.52) TP53L3MBTL1MEN1KMT2ARAB9A
SCHEMBL14906007 0.71 MAPT (0.57) TP53L3MBTL1TSHRMEN1KMT2A
SCHEMBL8327933 0.70 TP53 (0.55) TP53L3MBTL1TSHRMEN1KMT2A

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-0587473-B1 Condensed pyridine derivatives as inhibitors of the effects of free radicals SANOFI SA (FR) 1998-11-11 EP disclosed
EP-0587473-A1 Condensed pyridine derivatives as inhibitors of the effects of free radicals SANOFI (FR) 1994-03-16 EP disclosed