SCHEMBL6186463

SCHEMBL6186463

O=C(O)C1CNc2ccccc2N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSPA1A P0DMV8 1/20 0.36
PTPN7 P35236 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 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
SCHEMBL29036196 0.86 MAPT (0.46) MAPTGAAALDH1A1KDM4ENPC1
SCHEMBL6419902 0.83 GAA (0.43) MAPTGAAMTNR1AMTNR1BHPGD
Hydrochloric Acid SCHEMBL6646772 0.81 GAA (0.42) MAPTGAAMTNR1AMTNR1BHPGD
SCHEMBL27498585 0.80 MAPT (0.41) MAPTGAAALDH1A1HSD17B10KDM4E
SCHEMBL18955109 0.79 BACE1 (0.44) MAPTGAAALDH1A1HSD17B10KDM4E
SCHEMBL8563386 0.79 GAA (0.40) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL8563390 0.79 GAA (0.40) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL26780524 0.79 GAA (0.44) MAPTGAAALDH1A1HSD17B10KDM4E
SCHEMBL8563383 0.79 GAA (0.40) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL26780527 0.79 GAA (0.44) MAPTGAAALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
EP-3684767-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2020-07-29 EP disclosed
WO-2019243823-A1 AZAHETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2019-12-26 WO disclosed
WO-2019058393-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-03-28 WO disclosed
CN-106928157-A Triazole derivative 株式会社半导体能源研究所 2017-07-07 CN disclosed
CN-104370834-B Triazole derivative 株式会社半导体能源研究所 2017-04-19 CN disclosed
CN-104370834-A Triazole derivative SEMICONDUCTOR ENERGY LAB 2015-02-25 CN disclosed
CN-101679383-B Triazole derivative, and light-emitting element, light-emitting device, and electronic device using triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO.,LTD. (JP) 2014-10-29 CN disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
CN-102656163-A Heterocyclic compounds for the inhibition of PASK BIOENERGENIX 2012-09-05 CN disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
CN-101679383-A Triazole derivative, and light-emitting element, light-emitting device, and electronic device using triazole derivative SEMICONDUCTOR ENERGY LAB 2010-03-24 CN disclosed
EP-1587796-A1 SATURATED QUINOXALINE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS AstraZeneca AB (SE) 2005-10-26 EP disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
WO-2004069813-A1 SATURATED QUINOXALINE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2004-08-19 WO disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed