SCHEMBL27345565

SCHEMBL27345565

O=C1C=CN1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.52
ALDH1A1 P00352 4/20 0.41
FAAH O00519 3/20 0.41
HSP90AA1 P07900 3/20 0.41
HTT P42858 2/20 0.41
ATM Q13315 2/20 0.41
PKM P14618 1/20 0.41
COMT P21964 1/20 0.41
GSK3A P49840 4/20 0.39
GSK3B P49841 4/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.38
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL28807321 0.76 BCHE (0.56) MGLLALDH1A1FAAHHSP90AA1MEN1
SCHEMBL28424955 0.76 MGLL (0.56) MGLLALDH1A1FAAHHTTATM
SCHEMBL28431820 0.76 MGLL (0.60) MGLLALDH1A1FAAHHTTGAA
SCHEMBL28531388 0.74 HTT (0.49) ALDH1A1HTTGAAMAPK1ALOX12
SCHEMBL28424953 0.74 MGLL (0.61) MGLLALDH1A1FAAHHSP90AA1NPC1
SCHEMBL9845527 0.73 GAA (0.41) MGLLALDH1A1PKMCOMTGSK3A
SCHEMBL7854693 0.72 SMN1; SMN2 (0.37) MGLLALDH1A1FAAHHTTGSK3A
SCHEMBL7854696 0.70 MGLL (0.37) MGLLALDH1A1FAAHHTTATM
SCHEMBL18713 0.69 MGLL (1.00) MGLLALDH1A1FAAHHSP90AA1HTT
SCHEMBL8920586 0.69 MGLL (1.00) MGLLALDH1A1FAAHHSP90AA1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101273136-A Process for enantioselective enzymatic reduction of keto compounds IEP GMBH (DE) 2008-09-24 CN claimed
CN-117417911-A Method for efficiently producing phenylpyruvic acid by whole cell transformation 江南大学 2024-01-19 CN disclosed
CN-117126118-A Synthesis method of celecoxib 上海应用技术大学 2023-11-28 CN disclosed
CN-114028347-B Parixib sodium for injection and preparation method thereof 海南皇隆制药股份有限公司 2023-05-12 CN disclosed
CN-113461508-B Preparation method of alpha-ketophenylalanine calcium 北京福元医药股份有限公司沧州分公司 2022-12-16 CN disclosed
CN-111100084-B Preparation method of parecoxib sodium 山东罗欣药业集团恒欣药业有限公司 2022-12-06 CN disclosed
CN-114028347-A Parecoxib sodium for injection and preparation method thereof 海南皇隆制药股份有限公司 2022-02-11 CN disclosed
CN-113461508-A Preparation method of alpha-ketophenylalanine calcium 北京福元医药股份有限公司沧州分公司 2021-10-01 CN disclosed
CN-113443972-A Aryl C-F bond functionalization preparation method 中山大学 2021-09-28 CN disclosed
CN-111637419-A Light guide piece, car lamp module and vehicle 北京汽车股份有限公司 2020-09-08 CN disclosed
CN-101273137-A Oxidoreductases for stereoselective reduction of keto compounds IEP GMBH (DE) 2008-09-24 CN disclosed
CN-1880393-A Binder mixtures of polyaspartic acid ester and sulfonate-modified polyisocyanates BAYER MATERIALSCIENCE AG (DE) 2006-12-20 CN disclosed
CN-1839153-A Oxidoreductase from pichia capsulata IEP GMBH (DE) 2006-09-27 CN disclosed
CN-1696109-A Derivative of substitutional taurine and preparation method UNIV BEIJING (CN) 2005-11-16 CN disclosed
CN-1517436-A Oxide-reductase ����ϣø��Ʒ���޹�˾ 2004-08-04 CN disclosed
CN-1111155-C Process for preparation of pesticides BAYER AG (DE) 2003-06-11 CN disclosed
CN-1329648-A Material consisting of cyanoacrylate and aldehyde-or ketone-condensation products for adhesives, coatings and sealants HENKEL KGAA (DE) 2002-01-02 CN disclosed
CN-1203584-A Process for preparation of pesticides NOVARTIS AG (CH) 1998-12-30 CN disclosed
CN-1045968-A Remove new compound of bronchospasm and preparation method thereof DRACO AB (SE) 1990-10-10 CN disclosed
CN-1045039-A Produce the method for amine DOW CHEMICAL CO (US) 1990-09-05 CN disclosed