SCHEMBL2014094

SCHEMBL2014094

Cc1[c]ccc(-c2cccc(F)c2F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.39
BACE1 P56817 3/20 0.36
APP P05067 2/20 0.36
DYRK1A Q13627 3/20 0.34
HSD11B1 P28845 1/20 0.34
DHODH Q02127 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
PLK4 O00444 1/20 0.33
MAPK13 O15264 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
CDK1 P06493 1/20 0.33
PIM1 P11309 1/20 0.33
CDK2 P24941 1/20 0.33
MARK3 P27448 1/20 0.33
FLT4 P35916 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33

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
SCHEMBL2015544 0.86 PTPRC (0.43) PGRBACE1MAP4K4TNKSTNKS2
SCHEMBL8115423 0.82 PGR (0.38) PGRBACE1APPDYRK1AGRIN1
SCHEMBL2050893 0.80 TTR (0.35) PGRDHODH
SCHEMBL2433236 0.79 PGR (0.36) PGRBACE1APPDYRK1AGRIN1
SCHEMBL15636571 0.79 PGR (0.36) PGRBACE1APPDYRK1AGRIN1
SCHEMBL8130716 0.79 PGR (0.36) PGRBACE1APPDYRK1AGRIN1
SCHEMBL2051091 0.77 HSD11B1 (0.35) PGRBACE1APPDYRK1AHSD11B1
SCHEMBL4527011 0.74 RPS6KA3 (0.45) PGRBACE1APPDYRK1ADHODH
SCHEMBL374592 0.74 MCL1 (0.45) BACE1CLK4CTSD
SCHEMBL2053488 0.74 ALDH1A1 (0.44) APPDHODH

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
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
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed