SCHEMBL383049

SCHEMBL383049

N#CC1=C(C#N)C(Cl)=C(Cl)C(=O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
CES1 P23141 2/20 0.45
NSD2 O96028 1/20 0.45
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2952 0.86 MEN1 (0.47) CES2BCHEACHECES1NSD2
SCHEMBL375015 0.86 MEN1 (0.47) CES2BCHEACHECES1NSD2
Water SCHEMBL28189365 0.86 MEN1 (0.47) CES2BCHEACHECES1NSD2
SCHEMBL28071586 0.83 CES2 (0.44) CES2BCHEACHECES1NSD2
Hydrochloric Acid SCHEMBL8130707 0.83 CES2 (0.44) CES2BCHEACHECES1NSD2
SCHEMBL9196667 0.81 CES2 (0.42) CES2BCHEACHECES1NSD2
SCHEMBL1387747 0.80 CES2 (0.44) CES2BCHEACHECES1NSD2
SCHEMBL12500062 0.80 MEN1 (0.39) CES2BCHEACHECES1NSD2
Acetonitrile SCHEMBL29137992 0.79 CES2 (0.40) CES2BCHEACHECES1NSD2
Methylene Chloride SCHEMBL28153470 0.79 CES2 (0.40) CES2BCHEACHECES1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018700-B Oxocyclo [8] arene derivatives and preparation method thereof 清华大学 2023-03-31 CN claimed
CN-113666981-A Synthesis method of dydrogesterone 江西百思康瑞药业有限公司 2021-11-19 CN claimed
CN-111018700-A Oxocyclo [8] arene derivatives and preparation method thereof 清华大学 2020-04-17 CN claimed
CN-110437846-A Fluorine containing acetylene bond replaces benzoxazoles liquid-crystal compounds and preparation method thereof UNIV SHAANXI NORMAL 2019-11-12 CN claimed
CN-109294569-A A kind of preparation method of the adjustable carbon dots of fluorescence color 河南大学 2019-02-01 CN claimed
CN-107501391-A Formyl Trp Trp AA OBzl of 1 substituted beta carboline 3, its synthesis, activity and application 首都医科大学 2017-12-22 CN claimed
CN-107501392-A 1- substitutions-B-carboline -3- formyls-Trp-Trp-Thr-OBzl, its synthesis and application 首都医科大学 2017-12-22 CN claimed
CN-107082771-A Double α cyano group imines substituted isochroman class compounds and its synthetic method 上海大学 2017-08-22 CN claimed
EP-2530084-B1 COPOLYMER CONTAINING FLUORENYLPORPHYRIN-ANTHRACENE, PREPARATION METHOD AND USE THEREOF OCEANS KING LIGHTING SCIENCE (CN) 2014-03-12 EP claimed
US-8598301-B2 Copolymer containing fluorenylporphyrin-anthracene, preparation method and application thereof OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-12-03 US claimed
US-20120302717-A1 COPOLYMER CONTAINING FLUORENYLPORPHYRIN-ANTHRACENE, PREPARATION METHOD AND APPLICATION THEREOF OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2012-11-29 US claimed
US-20050269564-A1 Light dependent polymeric field effect transistor NARAYAN K S 2005-12-08 US claimed
EP-0991736-B8 METHOD FOR SEPARATING BENZOTHIOPHENE COMPOUNDS FROM A HYDROCARBON MIXTURE CONTAINING THEM CENTRE NAT RECH SCIENT (FR) 2003-05-07 EP claimed
EP-0991736-B1 METHOD FOR SEPARATING BENZOTHIOPHENE COMPOUNDS FROM A HYDROCARBON MIXTURE CONTAINING THEM CENTRE NAT RECH SCIENT (FR) 2003-01-29 EP claimed
US-20020084504-A1 Photo-responsive organic field effect transistor JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2002-07-04 US claimed
WO-2002024837-A1 METHOD FOR DENITROGENATION OF OIL FRACTIONS BY FORMING CHARGE TRANSFER COMPLEXES TOTALFINAELF FRANCE (FR) 2002-03-28 WO claimed
EP-0991736-A1 METHOD FOR SEPARATING BENZOTHIOPHENE COMPOUNDS FROM A HYDROCARBON MIXTURE CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2000-04-12 EP claimed
WO-1998056875-A1 METHOD FOR SEPARATING BENZOTHIOPHENE COMPOUNDS FROM A HYDROCARBON MIXTURE CONTAINING THEM, AND HYDROCARBON MIXTURE OBTAINED BY SAID METHOD CNRS-CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-12-17 WO claimed
WO-1993025561-A1 PHOSPHONOALKYL PHENYLALANINE COMPOUNDS SUITABLY PROTECTED FOR USE IN PEPTIDE SYNTHESIS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-12-23 WO claimed
US-4341785-A Imidazo-rifamycin derivatives with antibacterial utility ALFA FARMACEUTICI S.P.A. (IT) 1982-07-27 US claimed