SCHEMBL5104422

SCHEMBL5104422

O=CONc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CTSD P07339 1/20 0.39
TSHR P16473 3/20 0.38
PTGS2 P35354 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2B P41595 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
CDK9 P50750 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
IDO1 P14902 2/20 0.36

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
SCHEMBL28030617 0.91 ALDH1A1 (0.54) ALDH1A1TDP1HSD17B10TSHRPTGS2
Benzoic Acid SCHEMBL27860650 0.86 TSHR (0.52) ALDH1A1TDP1TSHRPTGS2MAPK1
SCHEMBL27547128 0.76 MAPT (0.41) ALDH1A1TDP1HSD17B10TSHRALOX15
SCHEMBL27859456 0.76 TGM2 (0.39) ALDH1A1TDP1TSHRTP53SMN1; SMN2
SCHEMBL28313469 0.76 CTSD (0.44) ALDH1A1CTSDL3MBTL1EPHX1SMN1; SMN2
SCHEMBL11666650 0.76 ALDH1A1 (0.48) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL28188600 0.76 KMT2A (0.41) ALDH1A1TDP1ALOX12LMNACYP2A6
SCHEMBL28173504 0.76 HSD17B10 (0.41) ALDH1A1HSD17B10TSHRPTGS2EPHX1
SCHEMBL2789858 0.75 TGM2 (0.40) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL13402842 0.75 ALDH1A1 (0.39) ALDH1A1TDP1HSD17B10CTSDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104109120-A N'-aryl acryloyl o-pyridine hydrazide derivatives, and preparation methods, pharmaceutical composition and application thereof INST MATERIA MEDICA CAMS 2014-10-22 CN claimed
CN-102731413-A Urea compound and its preparation method, intermediate and use SHANGHAI INST PHARM INDUSTRY 2012-10-17 CN claimed
US-6238754-B1 MULTILAYER POLYIMIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-05-29 US claimed
CN-116617993-A Device and method for preparing polymethylene polyphenyl polyurethane 中国科学院过程工程研究所 2023-08-22 CN disclosed
CN-110506040-A Kill the oxadiazole derivatives of microorganism SYNGENTA PARTICIPATIONS AG 2019-11-26 CN disclosed
CN-110392683-A Kill the oxadiazole derivatives of microorganism 先正达参股股份有限公司 2019-10-29 CN disclosed
CN-110382492-A Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2019-10-25 CN disclosed
CN-105960402-B Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2019-06-28 CN disclosed
CN-109923112-A Kill the oxadiazole derivatives of microorganism 先正达参股股份有限公司 2019-06-21 CN disclosed
CN-109890209-A Kill the oxadiazole derivatives of microorganism 先正达参股股份有限公司 2019-06-14 CN disclosed
CN-109476614-A Kill the oxadiazole derivatives of microorganism 先正达参股股份有限公司 2019-03-15 CN disclosed
CN-1028523-C Process for preparing carbamic acid SHELL INT RESEARCH (NL) 1995-05-24 CN disclosed
CN-1045579-A Process for preparing carbamates and intermediate thereof SHELL INT RESEARCH (NL) 1990-09-26 CN disclosed
US-4923504-A 2-(2-Imidazolin-2-yl)pyridines and quinolines, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1990-05-08 US disclosed
US-4798619-A 2-(2-imidazolin-2-yl)-pyridines and quinolines and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1989-01-17 US disclosed
US-4638068-A 2-(2-imidazolin-2-yl)-pyridines and quinolines, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1987-01-20 US disclosed
EP-0041623-B1 SUBSTITUTED IMIDAZOLINYL NICOTINE ACIDS, ESTERS AND SALTS AND USE THEREOF AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1985-08-28 EP disclosed
EP-0041624-B1 METHOD TO BENEFICIALLY INFLUENCE & ALTER THE DEVELOPMENT & LIFE CYCLE OF AGRONOMIC AND HORTICULTURAL CROPS WITH CERTAIN IMIDAZOLINYL NICOTINIC ACIDS AND DERIVATIVES THEREOF AMERICAN CYANAMID COMPANY (US) 1984-02-01 EP disclosed
EP-0041623-A2 Substituted imidazolinyl nicotine acids, esters and salts and use thereof as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1981-12-16 EP disclosed
EP-0041624-A2 Method to beneficially influence & alter the development & life cycle of agronomic and horticultural crops with certain imidazolinyl nicotinic acids and derivatives thereof AMERICAN CYANAMID COMPANY (US) 1981-12-16 EP disclosed