SCHEMBL8103789

SCHEMBL8103789

C=CCN(CC=C)c1c(C)cc(N(C)C(=O)O)cc1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.37
ALOX5 P09917 1/20 0.34
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
LSS P48449 2/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL11307822 0.87 CRHR1 (0.32) CRHR1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL11473651 0.84 CRHR1 (0.37) CRHR1ALOX5LMNASMN1; SMN2KDM4E
SCHEMBL11468813 0.81 CRHR1 (0.36) CRHR1ALOX5LMNASMN1; SMN2KDM4E
SCHEMBL11472925 0.79 RXRA (0.37) CRHR1ALOX5KDM4EALDH1A1TDP1
SCHEMBL11481847 0.75 TSHR (0.35) CRHR1LMNAKDM4EALDH1A1GAA
SCHEMBL9427777 0.75 KMT2A (0.35) KDM4EALDH1A1GAAL3MBTL1TSHR
SCHEMBL11509947 0.74 CYP1A2 (0.41) LMNATSHR
SCHEMBL11481863 0.74 TSHR (0.37) CRHR1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL11129148 0.73 CYP3A4 (0.38) CRHR1ALOX5ALDH1A1KMT2A
SCHEMBL10981799 0.73 CRHR1 (0.36) CRHR1ALOX5LMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315017-A Triazole derivatives BASF AKTIENGESELLSCHAFT (DE) 1982-02-09 US claimed
US-6160194-A Soil decontamination using ferric chelates and peroxide THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 2000-12-12 US disclosed
US-5232484-A Aqueous acid solution; mineralization; absence of large concentrations of organic solvents, chloride and sulfate THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 1993-08-03 US disclosed
EP-0068297-B1 A NEW INSECTICIDAL COMPOSITION, PROCESSES FOR ITS PRODUCTION AND ITS USE A. Nattermann & Cie. GmbH (DE) 1985-12-18 EP disclosed
EP-0068297-A1 A new insecticidal composition, processes for its production and its use A. Nattermann & Cie. GmbH (DE) 1983-01-05 EP disclosed
US-4315017-A Triazole derivatives BASF AKTIENGESELLSCHAFT (DE) 1982-02-09 US disclosed
EP-0008651-B1 DERIVATIVES OF TRIAZOLE, PROCESS FOR THEIR PRODUCTION AND INSECTICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
US-4288611-A N-Methyl-carbamates of 3,5-dimethyl-4-(N'-monosubstituted)-aminophenols exerting an insecticidal and acaricidal action MONTEDISON S.P.A. (IT) 1981-09-08 US disclosed
US-4256754-A PHENYL-1,2,4-TRIAZOLE DERIVATIVE, CARBAMATE BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed
US-4226883-A Carbamate derivatives and method for manufacture thereof YAMAMOTO IZURU 1980-10-07 US disclosed
US-3956306-A PESTICIDES CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed
US-3948940-A Pesticidal phthalimido phosphorous ester compounds CIBA-GEIGY CORPORATION (US) 1976-04-06 US disclosed
US-3941829-A PESTICIDE CIBA-GEIGY CORPORATION (US) 1976-03-02 US disclosed
US-3940412-A 2,4,5-Trichloro- and 2,4,5-tribromoimidazole derivatives and pesticidal compositions containing them CIBA-GEIGY AG (CH) 1976-02-24 US disclosed
US-3935224-A 4H-Pyrido[3,2a]-1,3,2-dioxophosphorane derivatives CIBA-GEIGY CORPORATION (US) 1976-01-27 US disclosed
US-3934010-A MITICIDE CIBA-GEIGY CORPORATION (US) 1976-01-20 US disclosed
US-3933945-A O-ethyl-S-(n)propyl-S-diallylcarbmoylmethyldithiophosphate CIBA-GEIGY CORPORATION (US) 1976-01-20 US disclosed
US-3932629-A Triazolyl phosphorus esters as pesticides CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed
US-3932630-A Triazolyl phosphorus esters as pesticides CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed
US-3932632-A Insecticidal compositions containing an organophosphorus compound and a thiolcarbamate BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-01-13 US disclosed