SCHEMBL2464804

SCHEMBL2464804

Nc1cc(-c2ccc(C=S)cc2)nc(OC(=O)O)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 2/20 0.33
EPRS1 P07814 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ACHE P22303 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MCHR1 Q99705 1/20 0.30
MCL1 Q07820 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
SCHEMBL2468160 0.85 CTRC (0.46) CTRCALDH1A1HSD17B10PTGESALOX5
SCHEMBL2464675 0.84 KMO (0.34) EPRS1ALDH1A1HSD17B10PTGESALOX5
SCHEMBL2470000 0.84 ACHE (0.45) CTRCALDH1A1HPGDKDM4EACHE
SCHEMBL2466883 0.83 DHODH (0.44) KDM4EACHEMAPT
SCHEMBL2466248 0.83 MAPT (0.44) CTRCALDH1A1HPGDKDM4EMEN1
SCHEMBL2465141 0.82 KMO (0.48) KDM4EMEN1MAPTKMT2A
SCHEMBL3333222 0.82 CTRC (0.37) CTRCEPRS1ALDH1A1HSD17B10PTGES
SCHEMBL2466332 0.81 MAPT (0.44) ALDH1A1CYP2C9MEN1MAPTKMT2A
SCHEMBL2465267 0.81 PIK3CD (0.43) CTRCEPRS1KDM4EHSP90AA1HSP90AB1
SCHEMBL2468817 0.81 DHODH (0.45) CTRCHPGDMAPTMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed