SCHEMBL14484154

SCHEMBL14484154

CNc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4s3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
KDM4E B2RXH2 7/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PPARG P37231 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SIRT1 Q96EB6 2/20 0.48
MAPK1 P28482 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL10279580 0.92 MAPT (0.53) MAPTKDM4EKMT2AMEN1CYP3A4
SCHEMBL2739960 0.87 SIRT1 (0.65) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL17446851 0.87 MEN1 (0.58) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL14484061 0.85 TOP1 (0.53) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL2740042 0.84 SIRT1 (0.65) MAPTKDM4EKMT2AMEN1PPARG
SCHEMBL14484055 0.79 MAPT (0.52) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL14618131 0.78 MAPT (0.50) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL2740038 0.78 MAPT (0.73) MAPTKDM4EKMT2AMEN1CYP1A2
SCHEMBL2740040 0.77 ALDH1A1 (0.53) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL2740043 0.77 MAPT (0.54) MAPTKDM4EKMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910385-B1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC (US) 2013-07-24 EP disclosed
WO-2007064902-A2 MASS SPECTROMETRY ASSAYS FOR ACETYLTRANSFERASE/DEACETYLASE ACTIVITY SIRTRIS PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed