SCHEMBL3205731

SCHEMBL3205731

O=C=NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
GSK3B P49841 2/20 0.43
SRD5A2 P31213 1/20 0.43
MAPK1 P28482 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL3393415 0.89 TP53 (0.36) CES2CES1TSHRCA1CA2
SCHEMBL199868 0.81 CES2 (0.48) CES2CES1ALOX15TSHRCA1
SCHEMBL6162544 0.78 TPMT (0.48) TSHRRAB9A
SCHEMBL28364182 0.78 MAPT (0.42) TSHRCA1CA2LMNAKDM4E
SCHEMBL4247526 0.78 CES2 (0.50) CES2CES1CA1CA2GSK3B
SCHEMBL67959 0.78 CES2 (0.50) CES2CES1CA1CA2LMNA
SCHEMBL15540018 0.78 TPMT (0.48) CA1CA2GSK3B
SCHEMBL811028 0.78 ALDH1A1 (0.50) CES2CES1GSK3BSRD5A2MAPK1
SCHEMBL3618348 0.78 CA1 (0.52) TSHRCA1CA2GSK3BL3MBTL1
SCHEMBL10999100 0.78 TSHR (0.53) TSHRSRD5A2MAPK1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539144-A Tetrahydroisoquinoline aryl urea compound and preparation method and application thereof 蚌埠医学院 2022-05-27 CN claimed
CN-112441990-A Bisamide compound containing 3, 4-dichloroisothiazole heterocycle, and preparation method and application thereof 江西天宇化工有限公司 2021-03-05 CN claimed
CN-115197113-B Combretastatin A-4 derivative containing thiourea structure, preparation method and application thereof 南通大学 2023-08-18 CN disclosed
CN-115197113-A Combretastatin A-4 derivative containing thiourea structure, preparation method and application thereof 南通大学 2022-10-18 CN disclosed
CN-113368896-B Catalyst for diflubenzuron synthesis and preparation method of diflubenzuron 河北威远生物化工有限公司 2022-07-29 CN disclosed
CN-114539144-A Tetrahydroisoquinoline aryl urea compound and preparation method and application thereof 蚌埠医学院 2022-05-27 CN disclosed
CN-113368896-A Catalyst for diflubenzuron synthesis and preparation method of diflubenzuron 河北威远生物化工有限公司 2021-09-10 CN disclosed
CN-112441990-A Bisamide compound containing 3, 4-dichloroisothiazole heterocycle, and preparation method and application thereof 江西天宇化工有限公司 2021-03-05 CN disclosed
EP-2208519-B1 Agent for separating optical isomers DAICEL CHEM (JP) 2012-08-29 EP disclosed
EP-2208519-A1 Agent for separating optical isomers Daicel Chemical Industries, Ltd. (JP) 2010-07-21 EP disclosed
EP-1618949-B1 AGENT FOR SEPARATING OPTICAL ISOMERS DAICEL CHEM (JP) 2010-06-16 EP disclosed
EP-0108351-B1 USE OF SUBSTITUTED MALONIC-ACID DERIVATIVES AS PESTICIDES BAYER AG (DE) 1987-07-22 EP disclosed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP disclosed
EP-0126235-A1 Five-membered nitrogen-containing heterocycles, process for their preparation and their use as pesticides BAYER AG (DE) 1984-11-28 EP disclosed
EP-0109172-A1 Novel substituted N-phenyl-N'benzoylureas and their use as insecticides and acaricides THE DOW CHEMICAL COMPANY (US) 1984-05-23 EP disclosed
EP-0108351-A2 Use of substituted malonic-acid derivatives as pesticides BAYER AG (DE) 1984-05-16 EP disclosed
EP-0047496-A1 Sulfonyl ureas, processes for their production, pharmaceutical compositions based on these compounds and their use HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-17 EP disclosed
US-4282212-A Immune-stimulating 1-(N-acylcarbamoyl)-2-cyanoaziridines BOEHRINGER MANNHEIM GMBH (DE) 1981-08-04 US disclosed
US-4150158-A Oxadiazindione derivatives useful as insecticides IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-04-17 US disclosed
US-4061630-A 7-Substituted-ureido-3-carbamoyloxymethyl cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1977-12-06 US disclosed