SCHEMBL968903

SCHEMBL968903

O=C(Nc1cccnc1)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.71
NAMPT P43490 3/20 0.68
CHRNA7 P36544 1/20 0.64
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
LMNA P02545 2/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
HTT P42858 1/20 0.61
SGMS2 Q8NHU3 1/20 0.61
MGLL Q99685 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
NPC1 O15118 1/20 0.58
PKM P14618 1/20 0.58
RAB9A P51151 1/20 0.58
ROCK2 O75116 1/20 0.55
NOTUM Q6P988 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
LRRK2 Q5S007 3/20 0.54

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
SCHEMBL11563747 0.91 NAMPT (0.77) POLBNAMPTCHRNA7KMT2AMEN1
SCHEMBL1665313 0.91 POLB (0.67) POLBNAMPTCHRNA7KMT2AMEN1
SCHEMBL27706331 0.87 NAMPT (0.60) POLBNAMPTCHRNA7KMT2AMEN1
SCHEMBL19993034 0.85 POLB (0.70) POLBNAMPTKMT2AMEN1LMNA
SCHEMBL5348225 0.85 ALDH1A1 (0.60) POLBNAMPTKMT2AMEN1LMNA
Benzyl Phenylcarbamate SCHEMBL1222943 0.84 POLB (0.78) POLBLMNAALDH1A1MAPTMGLL
SCHEMBL1334862 0.83 POLB (0.88) POLBNAMPTCHRNA7LMNAMAPT
SCHEMBL13679756 0.83 POLB (1.00) POLBNAMPTCHRNA7LMNAALDH1A1
SCHEMBL5347283 0.82 KMT2A (0.63) POLBNAMPTKMT2AMEN1LMNA
SCHEMBL995725 0.82 NAMPT (1.00) NAMPT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 CN disclosed
CN-114245796-A Imidazo [1,2-a ] pyridinyl derivatives and their use in the treatment of disease 比奥根MA公司 2022-03-25 CN disclosed
CN-109195965-A The inhibitor that WDR5 protein-protein combines 普罗佩纶治疗公司 2019-01-11 CN disclosed
CN-103073460-B Be applicable to treat the aromatic substance that the arylsulfonyl ylmethyl of the disease responded for the adjustment of dopamine D 3 receptor or aryl sulfonic acid amides replace AbbVie Deutschland GmbH & Co. KG (DE) 2015-09-09 CN disclosed
CN-101679266-B PIM kinase inhibitors and methods of their use NOVARTIS AG 2015-05-06 CN disclosed
CN-104311480-A Picolinamide derivatives as kinase inhibitors NOVARTIS AG 2015-01-28 CN disclosed
CN-104098559-A PIM kinase inhibitors and methods of their use NOVARTIS AG 2014-10-15 CN disclosed
CN-102015701-B PIM kinase inhibitors and methods of use thereof NOVARTIS AG 2014-07-23 CN disclosed
CN-103073460-A Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG 2013-05-01 CN disclosed
CN-101068801-B Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for the treatment of disorders which respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG 2012-11-14 CN disclosed
US-7335753-B2 Bifunctional heterocyclic compounds and methods of making and using same RIB-X PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-7335753-B2 Bifunctional heterocyclic compounds and methods of making and using same RIB-X PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
CN-101068801-A Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for the treatment of disorders which respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG (DE) 2007-11-07 CN disclosed
CN-1343206-A Cyclocompound FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-03 CN disclosed
EP-0739204-A4 PIPERIDINES, PYRROLIDINES AND HEXAHYDRO-1H-AZEPINES PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2000-03-15 EP disclosed
US-5721250-A ADMINISTERING TO TREAT PHYSIOLOGICAL AND MEDICAL CONDITIONS CHARACTERIZED BY A DEFICIENCY IN GROWTH HORMONE SECRETION: SHORT STATURE MERCK & CO. INC. (US) 1998-02-24 US disclosed
US-5622973-A BONE DISORDERS MERCK & CO., INC. (US) 1997-04-22 US disclosed
EP-0739204-A1 PIPERIDINES, PYRROLIDINES AND HEXAHYDRO-1H-AZEPINES PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1996-10-30 EP disclosed
US-5492916-A Di- and tri-substituted piperidines, pyrrolidines and hexahydro-1H-azepines promote release of growth hormone MERCK & CO., INC. (US) 1996-02-20 US disclosed
WO-1995013069-A1 PIPERIDINES, PYRROLIDINES AND HEXAHYDRO-1H-AZEPINES PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-05-18 WO disclosed