SCHEMBL2466898

SCHEMBL2466898

Nc1cc(-c2ccc(CO)cc2)nc(OC(=O)O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.38
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA2 P54646 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAG3 Q9UGI9 2/20 0.38
PRKAG2 Q9UGJ0 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
CTRC Q99895 3/20 0.36
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 0.34
PRKD3 O94806 1/20 0.34
MAPK1 P28482 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2469966 0.88 SMN1; SMN2 (0.42) CTRCMAPK8MAPK9MAPK10PRKD3
SCHEMBL2465833 0.88 MAPK8 (0.35) CTRCMAPK8MAPK9MAPK10PRKD3
SCHEMBL2468160 0.86 CTRC (0.46) CTRCMEN1KMT2AHPGDMAPT
SCHEMBL2470000 0.85 ACHE (0.45) CTRCMEN1KMT2AHPGDMAPT
SCHEMBL2466883 0.84 DHODH (0.44) MAPTADORA2A
SCHEMBL2466248 0.84 MAPT (0.44) CTRCMEN1KMT2AHPGDMAPT
SCHEMBL2465141 0.83 KMO (0.48) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL2466332 0.82 MAPT (0.44) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL2468817 0.82 DHODH (0.45) CTRCHPGDMAPTLMNARAB9A
SCHEMBL2465267 0.82 PIK3CD (0.43) ATRCTRCMAPK1MAP4K4EPRS1

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