SCHEMBL20135752

SCHEMBL20135752

Cc1[c]c(OCC(F)(F)F)c(C)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
THRB P10828 1/20 0.32
G6PD P11413 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP17A1 P05093 1/20 0.30
CYP2C9 P11712 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
SCHEMBL20448229 0.83 MAPK1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20135751 0.72
SCHEMBL15414290 0.71 CYP17A1 (0.34) CNR2ALDH1A1MAPTKDM4EMEN1
SCHEMBL22587766 0.70 ALDH1A1 (0.32) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL455026 0.67
SCHEMBL15334232 0.67 MAPT (0.53) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL24683493 0.65 CYP2C9 (0.49) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL16280979 0.64 SCN4A (0.47) ALDH1A1CYP2C9
SCHEMBL23977888 0.64 CYP2C9 (0.58) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL12017707 0.64 L3MBTL1 (0.46) ALDH1A1MAPTKDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019197615-A1 ACTIVE INGREDIENT COMBINATIONS WITH FUNGICIDES, INSECTICIDES AND ACARICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 WO claimed
EP-4175961-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2023-05-10 EP disclosed
EP-4139304-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2023-03-01 EP disclosed
WO-2022002818-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-01-06 WO disclosed
EP-3931192-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2022-01-05 EP disclosed
WO-2021213978-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-10-28 WO disclosed
EP-3890489-A1 HERBICIDE COMPOSITIONS Bayer Aktiengesellschaft (DE) 2021-10-13 EP disclosed
EP-3890488-A1 HERBICIDAL COMPOSITIONS Bayer Aktiengesellschaft (DE) 2021-10-13 EP disclosed
EP-3849975-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2021-07-21 EP disclosed
EP-3814346-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2021-05-05 EP disclosed
EP-3419418-A1 SOLVENT-FREE FORMULATIONS OF LOW-MELTING ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-01-02 EP disclosed
EP-3414240-A1 SUBSTITUTED IMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-12-19 EP disclosed
EP-3414237-A1 SUBSTITUTED 2-OXYIMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-12-19 EP disclosed
EP-3414236-A1 SUBSTITUIERTED 2-(HET)ARYL-IMIDAZOLYL-CARBOXYAMIDES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-12-19 EP disclosed
EP-3414238-A1 SUBSTITUTED -OXYIMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-12-19 EP disclosed
EP-3402797-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2018-11-21 EP disclosed
EP-3383874-A1 MESOIONIC HALOGENATED 3-(ACETYL)-1-[(1,3-THIAZOL-5-YL)METHYL]-1H-IMIDAZO[1,2-A]PYRIDIN-4-IUM-2-OLATE DERIVATIVES AND RELATED COMPOUNDS AS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-10-10 EP disclosed
EP-3368521-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-09-05 EP disclosed
EP-3331870-A2 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-06-13 EP disclosed
EP-3319943-A1 NITROGENOUS HETEROCYCLES AS A PESTICIDE Bayer CropScience Aktiengesellschaft (DE) 2018-05-16 EP disclosed