SCHEMBL14636882

SCHEMBL14636882

O=C(CNC(=O)c1ccccc1)NCC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 3/20 0.52
GPR139 Q6DWJ6 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MMP1 P03956 1/20 0.48
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL108567 0.88 GAA (0.61) GAALMNAPRSS1CTSGCTRB1
SCHEMBL28316775 0.84 PRSS1 (0.55) HTTGAALMNAPRSS1CTSG
SCHEMBL11288784 0.81 GPR139 (0.52) HTTL3MBTL1GAAGPR139MEN1
SCHEMBL7293621 0.79 KDM4E (0.59) GAAGPR139MEN1KMT2AMMP1
SCHEMBL7515133 0.79 KDM4E (0.59) GAAGPR139MEN1KMT2AMMP1
SCHEMBL15741530 0.78 HPGD (0.56) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL8056354 0.77 GAA (0.57) HTTL3MBTL1GAAGPR139LMNA
SCHEMBL21773980 0.77 MAPK14 (0.64) HTTL3MBTL1LMNA
SCHEMBL7412271 0.77 MMP1 (0.73) HTTGAAGPR139MMP1SLC6A9
SCHEMBL27419582 0.77 GPR139 (0.55) GAAGPR139MEN1KMT2AMMP1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105722830-B Aryl thioethers derivative and aryl sulfoxid es derivative as acaricide and insecticide 拜耳作物科学股份公司 2019-06-04 CN claimed
CN-109688816-A Active compound combinations and method for protecting plant propagation material 拜耳作物科学股份公司 2019-04-26 CN claimed
CN-109688816-A Active compound combinations and method for protecting plant propagation material 拜耳作物科学股份公司 2019-04-26 CN disclosed
CN-105473558-B Aromatic yl sulfide derivative and aryl oxysulfide derivative as acaricide and insecticide 拜耳作物科学股份公司 2019-04-19 CN disclosed
CN-104981154-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2018-01-26 CN disclosed
CN-106659160-A Insecticide, miticide, nematicide, molluscicide, disinfectant, or bactericide composition, and pest control method 日产化学工业株式会社 2017-05-10 CN disclosed
CN-106459019-A Azoline compounds 巴斯夫欧洲公司 2017-02-22 CN disclosed
CN-106414426-A N-acylimino heterocyclic compounds 巴斯夫欧洲公司 2017-02-15 CN disclosed
EP-3079474-A1 ANTIPARASITIC USE OF ISOXAZOLINE COMPOUNDS Intervet International B.V. (NL) 2016-10-19 EP disclosed
EP-2914107-A1 TOPICAL PARASITICIDAL FORMULATION Intervet International B.V. (NL) 2015-09-09 EP disclosed
WO-2015086551-A1 ANTIPARASITIC USE OF ISOXAZOLINE COMPOUNDS INTERVET INTERNATIONAL B.V. (NL) 2015-06-18 WO disclosed
EP-2731426-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS II BASF SE (DE) 2014-05-21 EP disclosed
WO-2014068028-A1 TOPICAL PARASITICIDAL FORMULATION INTERVET INTERNATIONAL B.V. (NL) 2014-05-08 WO disclosed
WO-2013010947-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS II BASF SE (DE) 2013-01-24 WO disclosed