SCHEMBL2469864

SCHEMBL2469864

CCCCNc1nc(C2CC2)nc(C(=O)O)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.48
TLR8 Q9NR97 3/20 0.44
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR7 Q9NYK1 3/20 0.34
HCAR3 P49019 1/20 0.34
SLC29A1 Q99808 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
FLT3 P36888 3/20 0.33
TYRO3 Q06418 3/20 0.33
MERTK Q12866 3/20 0.33
GAS6 Q14393 3/20 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
SCHEMBL2464501 0.95 PDE10A (0.46) PDE10ATLR8HCAR3
SCHEMBL2470158 0.92 PDE10A (0.57) PDE10ATLR8
SCHEMBL1611084 0.76 PDE10A (0.60) PDE10AKDM4E
SCHEMBL1609892 0.76 PDE10A (0.54) PDE10A
SCHEMBL1609597 0.75 PDE10A (0.46) PDE10A
SCHEMBL719516 0.74 TDP1 (0.47) PDE10A
SCHEMBL1608985 0.74 PDE10A (0.47) PDE10A
SCHEMBL1609122 0.73 PDE10A (0.48) PDE10A
SCHEMBL1610108 0.73 PDE10A (0.46) PDE10ATLR8TLR7
SCHEMBL1609883 0.73 PDE10A (0.43) PDE10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2369931-A2 HERBICIDE/SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP claimed
WO-2010060578-A2 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO claimed
EP-2191720-A1 Herbicide-safener combination Bayer CropScience AG (DE) 2010-06-02 EP claimed
EP-2369931-A2 HERBICIDE/SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060578-A2 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
EP-2191720-A1 Herbicide-safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed