SCHEMBL2050893

SCHEMBL2050893

Cc1[c]ccc(-c2c(F)cccc2F)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ACHE P22303 2/20 0.32
PBRM1 Q86U86 1/20 0.32
TRPA1 O75762 1/20 0.31
DHODH Q02127 1/20 0.31
NPY5R Q15761 1/20 0.31
PGR P06401 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
SCHEMBL2014094 0.80 PGR (0.39) DHODHPGR
SCHEMBL15636751 0.80 TTR (0.37) TTRALOX5APFEN1TRPA1
SCHEMBL2015544 0.79 PTPRC (0.43) ALOX5APFEN1ACHETRPA1PGR
SCHEMBL15637269 0.78 TTR (0.38) TTRCSNK1DCSNK1EMAPK14ALOX5AP
SCHEMBL2012498 0.77 TAAR1 (0.46) ACHEPGR
SCHEMBL15637381 0.77 TTR (0.35) TTRALOX5APFEN1TRPA1
SCHEMBL15637256 0.77 TTR (0.39) TTRALOX5APFEN1TRPA1
SCHEMBL2053603 0.77 TTR (0.35) TTRALOX5APFEN1TRPA1
SCHEMBL17144789 0.77 TTR (0.35) TTRALOX5APFEN1TRPA1
SCHEMBL15637365 0.77 TTR (0.33) TTRALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903440-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer CropScience AG (DE) 2015-08-12 EP disclosed
WO-2014053450-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-04-10 WO disclosed
WO-2013182433-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-12-12 WO disclosed
EP-2547687-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-01-23 EP disclosed
EP-2513067-A1 METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF BASF SE (DE) 2012-10-24 EP disclosed
WO-2011113820-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2011-09-22 WO disclosed
WO-2011073145-A1 METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF BASF SE (DE) 2011-06-23 WO disclosed