SCHEMBL135276

SCHEMBL135276

COc1cc(N=C=O)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 4/20 0.44
TRPA1 O75762 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
ALOX12 P18054 1/20 0.36
MPI P34949 1/20 0.36
HTT P42858 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL3896348 0.95 ALDH1A1 (0.43) ALDH1A1CYP3A4TRPA1TDP1HPGD
SCHEMBL7530889 0.87 CYP1A2 (0.47) ALDH1A1CYP3A4TDP1HPGDCYP1A1
SCHEMBL29556081 0.86 CYP3A4 (0.36) ALDH1A1CYP3A4TRPA1TDP1HPGD
SCHEMBL5437206 0.86 TDP1 (0.40) ALDH1A1CYP3A4TRPA1TDP1HPGD
SCHEMBL17170063 0.82 CYP3A4 (0.35) ALDH1A1CYP3A4TRPA1TDP1HPGD
SCHEMBL856528 0.82 RXRA (0.40) ALDH1A1CYP3A4TRPA1TDP1HPGD
SCHEMBL12539381 0.80 LMNA (0.44) ALDH1A1TDP1MAPK1KMT2APOLB
SCHEMBL23447 0.79 HTR3E (0.53) ALDH1A1CYP3A4TDP1MAPK1KMT2A
SCHEMBL29541540 0.79 HTR3E (0.53) ALDH1A1CYP3A4TDP1MAPK1KMT2A
SCHEMBL1021008 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354778-B Solid polycarboxylate superplasticizer and preparation method thereof 中建西部建设建材科学研究院有限公司 2023-10-03 CN claimed
CN-113354778-A Solid polycarboxylic acid water reducing agent and preparation method thereof 中建西部建设建材科学研究院有限公司 2021-09-07 CN claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
US-20240116025-A1 HYBRID MATERIAL FOR CHROMATOGRAPHIC SEPARATIONS COMPRISING A SUPERFICIALLY POROUS CORE AND A SURROUNDING MATERIAL WATERS TECHNOLOGIES CORPORATION (US) 2024-04-11 US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
CN-116917364-A Low viscosity catalyst composition for producing isocyanurate polymers 科思创德国股份有限公司 2023-10-20 CN disclosed
US-4428948-A FUNGICIDES AGAINST PHYTOPATHOGENS ROHM AND HAAS COMPANY (US) 1984-01-31 US disclosed
EP-0093604-A1 Fungicidal carbamates and thiolcarbamates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-09 EP disclosed
US-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 US disclosed
EP-0086411-A2 Methyl-substituted tetrahydro-2-pyrimidinone derivatives, process for their preparation and their use as herbicides, as well as intermediates for their preparation NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-08-24 EP disclosed
US-4378357-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1983-03-29 US disclosed
EP-0058868-A1 Derivatives of tetrahydropyrimidinon, process for their preparation and herbicides containing those derivatives as active products NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1982-09-01 EP disclosed
EP-0051871-A1 N-Phenylcarbamate derivatives, process for their preparation, fungicidal compositions and a method for controlling fungi SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-05-19 EP disclosed
US-4024258-A Composition of and method for reducing hypertension with a 1-[1-(indol-3-ylethyl)-piperazin-4-yl]-3-substituted urea AMERICAN HOECHST CORPORATION (US) 1977-05-17 US disclosed
US-3948918-A HYPOTENSIVE AMERICAN HOECHST CORPORATION (US) 1976-04-06 US disclosed