Nicotinyl Methylamide

Nicotinyl Methylamide

SCHEMBL2116457

CC(C(=O)O)C(=O)O.CNC(=O)c1cccnc1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 3/20 0.52
ALDH1A1 P00352 4/20 0.51
GAA P10253 3/20 0.51
APP P05067 1/20 0.51
HCAR3 P49019 1/20 0.51
HCAR2 Q8TDS4 1/20 0.51
THRB P10828 1/20 0.51
HIF1A Q16665 1/20 0.51
CYP2C9 P11712 2/20 0.50
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
ALPL P05186 1/20 0.50

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
Nicotinyl Methylamide SCHEMBL30664356 0.88 HDAC1 (0.69) HDAC1HDAC6MKNK1MKNK2LMNA
Nicotinyl Methylamide SCHEMBL28560459 0.88 HDAC1 (0.69) HDAC1HDAC6MKNK1MKNK2LMNA
Nicotinyl Methylamide SCHEMBL129458 0.88 HDAC1 (0.69) HDAC1HDAC6MKNK1MKNK2LMNA
Nicotinyl Methylamide SCHEMBL5528294 0.87 HDAC1 (0.67) HDAC1HDAC6MKNK1MKNK2LMNA
Nicotinyl Methylamide SCHEMBL22190418 0.87 HDAC1 (0.67) HDAC1HDAC6MKNK1MKNK2LMNA
Nicotinyl Methylamide SCHEMBL4730618 0.87 HDAC1 (0.67) HDAC1HDAC6MKNK1MKNK2LMNA
Nicotinyl Methylamide SCHEMBL9275531 0.87 HDAC1 (0.67) HDAC1HDAC6MKNK1MKNK2LMNA
Nicotinyl Methylamide SCHEMBL22190415 0.87 HDAC1 (0.67) HDAC1HDAC6MKNK1MKNK2LMNA
Nicotinyl Methylamide SCHEMBL29082835 0.87 HDAC1 (0.67) HDAC1HDAC6MKNK1MKNK2LMNA
Nicotinyl Methylamide SCHEMBL5891238 0.87 HDAC1 (0.67) HDAC1HDAC6MKNK1MKNK2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023752-B Diagnosis, prognosis and treatment of schizophrenia and schizoaffective disorders 精密医药控股私人有限公司 2021-06-29 CN disclosed
US-20200049722-A1 DIAGNOSIS, PROGNOSIS AND TREATMENT FOR SCHIZOPHRENIA AND SCHIZOAFFECTIVE PSYCHOSIS PRECISION MEDICINE HOLDINGS PTY LTD (AU) 2020-02-13 US disclosed
US-20160349274-A1 MENTAL ILLNESS MODEL AND MENTAL ILLNESS RISK ASSESSMENT TEST FOR SCHIZOPHRENIC PSYCHOSIS WILLIAMS STEPHANIE SUE (AU) 2016-12-01 US disclosed
US-20140113318-A1 Novel Biomarkers FRYAR-WILLIAMS, STEPHANIE (AU) 2014-04-24 US disclosed
US-20120094315-A1 BIOMARKERS FOR THE DIAGNOSIS AND/OR PREDICTION OF SUSCEPTIBILITY TO MENTAL AND NEURODEGENERATIVE DISORDERS FRYAR-WILLIAMS STEPHANIE (AU) 2012-04-19 US disclosed