SCHEMBL2465756

SCHEMBL2465756

Nc1cc(C2CC2)nc(OC(=O)O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
KDM4E B2RXH2 5/20 0.33
KMT2A Q03164 5/20 0.33
CYP3A4 P08684 3/20 0.33
MAPT P10636 5/20 0.32
MEN1 O00255 4/20 0.32
HSD17B10 Q99714 3/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 2/20 0.32
SRC P12931 1/20 0.31
HDAC4 P56524 4/20 0.31
HDAC3 O15379 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL4456236 0.78 CYP3A4 (0.38) KDM4EKMT2ACYP3A4MAPTMEN1
SCHEMBL2465755 0.77 TDP1 (0.42) POLBKDM4EKMT2ACYP3A4MAPT
SCHEMBL9939459 0.75 CYP3A4 (0.36) CYP3A4
SCHEMBL17797229 0.75 FFAR4 (0.34)
SCHEMBL2470000 0.75 ACHE (0.45) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL2468160 0.73 CTRC (0.46) KDM4EKMT2AMAPTMEN1HSD17B10
SCHEMBL2469161 0.73 TDP1 (0.34)
SCHEMBL2464647 0.73 PDE10A (0.42)
SCHEMBL2466332 0.72 MAPT (0.44) KMT2ACYP3A4MAPTMEN1MAPK1
SCHEMBL2465323 0.72 NQO2 (0.41) POLBKDM4EALDH1A1LMNASMN1; SMN2

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-2369927-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP claimed
WO-2010060579-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO claimed
EP-2369927-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
EP-2210492-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-07-28 EP disclosed
WO-2010060579-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed