SCHEMBL2537515

SCHEMBL2537515

COc1ccc(N(C)C(C)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
HTT P42858 1/20 0.71
SMN1; SMN2 Q16637 4/20 0.59
POLB P06746 1/20 0.59
HSP90AA1 P07900 1/20 0.53
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
MAPT P10636 4/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
ESR2 Q92731 1/20 0.51
NOX1 Q9Y5S8 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
SRD5A1 P18405 2/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48

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
SCHEMBL19267926 0.89 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2POLBHSP90AA1
Ether SCHEMBL28296537 0.89 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2POLBHSP90AA1
SCHEMBL12534115 0.85 HSP90AA1 (0.58) ALDH1A1HTTSMN1; SMN2POLBHSP90AA1
SCHEMBL14341655 0.84 SMN1; SMN2 (0.61) ALDH1A1HTTSMN1; SMN2POLBMAPT
SCHEMBL3458382 0.83 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2HSP90AA1PDK1
Anisole SCHEMBL27402411 0.83 CA1 (0.58) ALDH1A1HTTSMN1; SMN2POLBMAPT
SCHEMBL6154224 0.83 ALDH1A1 (0.51) ALDH1A1HTTSMN1; SMN2HSP90AA1PDK1
SCHEMBL7823913 0.82 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2POLBHSP90AA1
SCHEMBL2537514 0.82 SMN1; SMN2 (0.57) ALDH1A1HTTSMN1; SMN2POLBMAPT
SCHEMBL7615944 0.82 CA1 (0.53) ALDH1A1HTTSMN1; SMN2HSP90AA1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120357-A Preparation method of carbapenem and penem intermediate 苏州宝圣医药科技有限公司 2023-05-16 CN claimed
EP-2014643-B1 PARA-METHOXYANILINE DERIVATIVES INCREASING THE ANTIKNOCK RATING OF HYDROCARBON FUELS AND COMPOSITIONS BASED THEREON ZAO IFOKHIM (RU) 2013-11-20 EP claimed
CN-102491912-A Synthesizing method of N-methoxyphenyl-N-(acetyl)methylamine SHANGHAI ASIA PIONEER PHARMACEUTICAL CO LTD 2012-06-13 CN claimed
EP-2014643-A1 PARA-ETHOXYANILINE DERIVATIVES INCREASING THE ANTIKNOCK RATING OF HYDROCARBON FUELS AND COMPOSITIONS BASED THEREON Obshestvo S Ogranichennoy Otvetstvennostiu Inoxim (RU) 2009-01-14 EP claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
CN-118344264-A 13Purification method of C Mexaxetine13C Meishasistine 北京华亘安邦科技有限公司 2024-07-16 CN disclosed
CN-116120357-A Preparation method of carbapenem and penem intermediate 苏州宝圣医药科技有限公司 2023-05-16 CN disclosed
CN-116120357-A Preparation method of carbapenem and penem intermediate 苏州宝圣医药科技有限公司 2023-05-16 CN disclosed
CN-111233689-B 13 Purification method and preparation method of C-methacetin 北京华亘安邦科技有限公司 2022-07-26 CN disclosed
CN-111233689-A 13Purification method and preparation method of C-methaoxetine 北京华亘安邦科技有限公司 2020-06-05 CN disclosed
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP disclosed
EP-2784056-B1 METHOD FOR THE SELECTIVE PRODUCTION OF N-METHYL-PARA-ANISIDINE IFOTOP LLC (RU) 2018-09-12 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO disclosed
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
CN-1284878-A Drugs augmenting NKT cells FUJISAWA PHARMACEUTICAL CO (JP) 2001-02-21 CN disclosed
EP-1048296-A1 DRUGS AUGMENTING NKT CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
WO-1998045260-A1 PROCESS FOR STEREOSELECTIVE PREPARATION OF AZETIDINONES CHOONGWAE PHARMACEUTICAL CO., LTD. (KR) 1998-10-15 WO disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed