SCHEMBL29836152

SCHEMBL29836152

CC#CCOc1cc(-c2cccc(Cl)c2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.46
HTR1A P08908 3/20 0.42
HTR7 P34969 3/20 0.42
FAAH O00519 1/20 0.40
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP4K4 O95819 3/20 0.38
GRM5 P41594 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
DPP4 P27487 1/20 0.36
IDO1 P14902 2/20 0.35
NOTUM Q6P988 1/20 0.35
KDM1A O60341 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
SCHEMBL3674569 1.00 KMO (0.46) KMOHTR1AHTR7FAAHNPC1
SCHEMBL5410560 0.85 NPC1 (0.54) KMOHTR1AHTR7NPC1CYP1A2
SCHEMBL5412658 0.84 KMO (0.46) KMONPC1CYP1A2CYP2C9CYP2C19
SCHEMBL792145 0.79 KMO (0.54) KMOHTR1AHTR7FAAHNPC1
SCHEMBL5416112 0.77 CYP1A2 (0.39) FAAHNPC1CYP1A2CYP2C9CYP2C19
SCHEMBL5399913 0.76 JAK2 (0.33) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL4138715 0.75 CHRNA7 (0.40) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL29450669 0.74 KMO (0.67) KMOFAAHMAP4K4DPP4IDO1
SCHEMBL17273305 0.74 KMO (0.67) KMOFAAHMAP4K4DPP4IDO1
SCHEMBL5410704 0.74 CHRM3 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122059954-A Pyridyl-substituted benzotriazole ring compound, preparation method thereof, insecticidal composition and application 青岛清原化合物有限公司 2026-05-19 CN disclosed
EP-3253757-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2025-03-19 EP disclosed
CN-118955472-A 2- (Hetero) aryl substituted fused heterocyclic derivatives as pesticides 拜耳作物科学股份公司 2024-11-15 CN disclosed
EP-4449098-A1 SPECTROSCOPIC SOLUTION FOR NON-DESTRUCTIVE QUANTIFICATION OF ONE OR MORE CHEMICAL SUBSTANCES IN A MATRIX COMPRISING COATING AND BULK MATERIAL IN A SAMPLE, SUCH AS COATED SEEDS, USING MULTIVARIATE DATA ANALYSIS Bayer Aktiengesellschaft (DE) 2024-10-23 EP disclosed
EP-4441049-A1 BIS(HETERO)ARYL THIOETHER OXADIAZINES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2024-10-09 EP disclosed
EP-4426677-A1 BIS(HETERO)ARYL THIOETHER (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2024-09-11 EP disclosed
CN-118541353-A Bis (hetero) aryl thioether (thio) amides as fungicidal compounds 拜耳公司 2024-08-23 CN disclosed
CN-118525195-A Spectroscopic protocol for non-destructive quantification of one or more chemicals in a substrate comprising a coating and a bulk material in a sample, such as a coated seed, using multivariate data analysis 拜耳公司 2024-08-20 CN disclosed
CN-118317956-A Bis (hetero) aryl thioether oxadiazines as fungicidal compounds 拜耳公司 2024-07-09 CN disclosed
CN-110475776-B Tricyclic carboxamides for combating arthropods 拜耳作物科学股份公司 2024-03-19 CN disclosed
EP-3601279-B1 TRICYCLIC CARBOXAMIDES AS CONTROL AGENT FOR ARTHROPODS BAYER ANIMAL HEALTH GMBH (DE) 2023-10-18 EP disclosed
CN-116828982-A Method for treating rice seeds with improved agrochemical, micronutrient and colorant retention 法国特种经营公司 2023-09-29 CN disclosed
WO-2023110656-A1 SPECTROSCOPIC SOLUTION FOR NON-DESTRUCTIVE QUANTIFICATION OF ONE OR MORE CHEMICAL SUBSTANCES IN A MATRIX COMPRISING COATING AND BULK MATERIAL IN A SAMPLE, SUCH AS COATED SEEDS, USING MULTIVARIATE DATA ANALYSIS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-22 WO disclosed
WO-2023099445-A1 BIS(HETERO)ARYL THIOETHER OXADIAZINES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-08 WO disclosed
WO-2023092050-A1 BENEFICIAL COMBINATIONS WITH RECOMBINANT BACILLUS CELLS EXPRESSING A SERINE PROTEASE BAYER CROPSCIENCE LP (US) 2023-05-25 WO disclosed
WO-2023078915-A1 BIS(HETERO)ARYL THIOETHER (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-05-11 WO disclosed
CN-115885985-A Aqueous suspension concentrates FMC公司 2023-04-04 CN disclosed
CN-111225565-B Aqueous suspension concentrates FMC公司 2023-01-31 CN disclosed
EP-4068968-A1 HIGHLY EFFECTIVE FORMULATIONS ON THE BASIS OF 2-[(2,4-DICHLORPHENYL)-METHYL]-4,4'-DIMETHYL-3-ISOXAZOLIDINONES AND PREEMERGENCE HERBICIDES Bayer Aktiengesellschaft (DE) 2022-10-12 EP disclosed
CN-114615891-A High-potency formulations based on 2- [ (2, 4-dichlorophenyl) methyl ] -4,4' -dimethyl-3-isoxazolidone and a pre-emergent herbicide 拜耳公司 2022-06-10 CN disclosed