SCHEMBL21241358

SCHEMBL21241358

COc1cc(C(F)(F)F)nnc1-c1cccnc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.39
PDE2A O00408 6/20 0.39
PDE5A O76074 2/20 0.38
PDE11A Q9HCR9 2/20 0.38
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRNA7 P36544 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE6D O43924 1/20 0.35

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
SCHEMBL13330989 0.76 PDE10A (0.42) PDE10APDE2APDE5APDE11APDGFRB
SCHEMBL21240997 0.75 HSD17B10 (0.48) GAAKDM4EHPGDLMNAALDH1A1
SCHEMBL21241500 0.74 ADORA2A (0.45) PDE10AGAAKDM4EHPGDMITF
SCHEMBL21241506 0.72 PDE10A (0.43) PDE10APDE2APDE5APDE11AHPGD
SCHEMBL21241175 0.69 PDE4B (0.43) PDE10ALMNAPDGFRBPDE4DMAPT
SCHEMBL1264612 0.69 KIT (0.60) PDE10APDGFRBPDGFRA
SCHEMBL4370352 0.68
SCHEMBL29413198 0.68
SCHEMBL29889827 0.67 NOTUM (0.49) PDE10AMAPT
SCHEMBL2486570 0.67 NOTUM (0.49) PDE10AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed