SCHEMBL2469147

SCHEMBL2469147

Nc1c(F)c(-c2ccc(F)cc2)nc(OC(=O)O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.34
SCN9A Q15858 1/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 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
SCHEMBL2465873 0.92 DHODH (0.37) DHODHMAPTALDH1A1KDM4ENPC1
SCHEMBL2466429 0.89 HSP90AB1 (0.36) DHODHMAPTALDH1A1KDM4EHPGD
SCHEMBL2469291 0.84 PIK3CD (0.41) DHODHALDH1A1KDM4ENPC1HPGD
SCHEMBL2469146 0.81 TDP1 (0.47) DHODHMAPTALDH1A1PKMKDM4E
SCHEMBL2465144 0.80 KDM4E (0.39) MAPTALDH1A1PKMKDM4ENPC1
SCHEMBL2467746 0.80 CTNNB1 (0.43) DHODHALDH1A1PKMKDM4ENPC1
SCHEMBL2467803 0.78 ALDH1A1 (0.46) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL2466316 0.78 GRM2 (0.41) MAPK1
SCHEMBL2469859 0.78 CNR1 (0.43)
SCHEMBL9938760 0.78 CNR1 (0.34) DHODHALDH1A1HPGDMAPK1

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-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939540-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