SCHEMBL2470000

SCHEMBL2470000

Nc1cc(-c2ccccc2)nc(OC(=O)O)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ADORA2A P29274 3/20 0.43
ADORA1 P30542 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTRC Q99895 1/20 0.43
MAP2K3 P46734 1/20 0.42
CASP1 P29466 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
XDH P47989 1/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2467625 0.90 KMO (0.45) ADORA1L3MBTL1CTRC
SCHEMBL2468160 0.90 CTRC (0.46) ACHEKDM4EMEN1KMT2AADORA2A
SCHEMBL2462741 0.89 CYP1A1 (0.50) KDM4EMEN1KMT2AADORA2AADORA1
SCHEMBL2466332 0.88 MAPT (0.44) MEN1KMT2AALDH1A1MAP2K3CASP1
SCHEMBL2466457 0.88 XDH (0.44) KDM4EADORA2AADORA1ALDH1A1SMN1; SMN2
SCHEMBL2466248 0.87 MAPT (0.44) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2466883 0.87 DHODH (0.44) ACHEKDM4EADORA2AADORA1ADORA3
SCHEMBL2464096 0.86 HSP90AA1 (0.46) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL2465141 0.86 KMO (0.48) KDM4EMEN1KMT2AMAPT
SCHEMBL2465809 0.85 XDH (0.47) ACHEKDM4EMEN1KMT2AADORA2A

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