SCHEMBL6996182

SCHEMBL6996182

Nc1cc2c(cc1N)OC(F)(Cl)C(F)(Cl)O2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.35
PTK2 Q05397 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL9077546 0.89 ALPL (0.32) ALPLCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9687836 0.87 ALPL (0.31) ALPLCYP1A2CYP2C9CYP2C19
SCHEMBL939408 0.79 GPR3 (0.38) ALPLPTK2CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL1966185 0.77 GPR3 (0.37) ALPLPTK2CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL15552623 0.77 GPR3 (0.37) ALPLPTK2CYP1A2CYP2C9CYP2C19
SCHEMBL8797620 0.72
SCHEMBL9686802 0.70 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL11001363 0.69 MAPT (0.47) TSHR
SCHEMBL6990050 0.69 ALOX5 (0.35)
SCHEMBL6989713 0.67 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090954-A 2,3-DICHLORO-2,3-DIFLUORO-(1,4)-BENZODIOXANE, 2,3-DICHLORO-2,3-DIFLUORO-6,7-DINITRO-(1,4)-BENZODIOXANE, AND 6,7-DIAMINO-2,3-DICHLORO-2,3-DIFLUORO-(1,4)-BENZODIOXANE, AND PREPARATION; PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-07-18 US claimed
EP-0758334-A1 SUBSTITUTED (1,4)DIOXINO(2,3-F)BENZOIMIDAZOLE DERIVATIVES AND THEIR USE IN PEST CONTROL BAYER AG (DE) 1997-02-19 EP claimed
WO-1995029918-A1 SUBSTITUTED (1,4)DIOXINO(2,3-F)BENZOIMIDAZOLE DERIVATIVES AND THEIR USE IN PEST CONTROL BAYER AKTIENGESELLSCHAFT (DE) 1995-11-09 WO claimed
EP-0758334-B1 SUBSTITUTED (1,4)DIOXINO(2,3-F)BENZOIMIDAZOLE DERIVATIVES AND THEIR USE IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2003-02-05 EP disclosed
US-6090954-A 2,3-DICHLORO-2,3-DIFLUORO-(1,4)-BENZODIOXANE, 2,3-DICHLORO-2,3-DIFLUORO-6,7-DINITRO-(1,4)-BENZODIOXANE, AND 6,7-DIAMINO-2,3-DICHLORO-2,3-DIFLUORO-(1,4)-BENZODIOXANE, AND PREPARATION; PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-07-18 US disclosed
US-5990316-A Substituted (1,4)dioxino(2,3-F) 6,7-Dichloro-6,7-difluoro-2-trichloromethyl-[1,4]-dioxino-[2,3-f]-benzim idazole and their use in pest control BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
US-5792873-A PESTICIDES SYNTHESIS FROM NEW CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1998-08-11 US disclosed
US-5648316-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed
EP-0758334-A1 SUBSTITUTED (1,4)DIOXINO(2,3-F)BENZOIMIDAZOLE DERIVATIVES AND THEIR USE IN PEST CONTROL BAYER AG (DE) 1997-02-19 EP disclosed
WO-1995029918-A1 SUBSTITUTED (1,4)DIOXINO(2,3-F)BENZOIMIDAZOLE DERIVATIVES AND THEIR USE IN PEST CONTROL BAYER AKTIENGESELLSCHAFT (DE) 1995-11-09 WO disclosed