SCHEMBL3785202

SCHEMBL3785202

CCOC(=O)/C(C)=N\NCC(=O)Cc1c(C)cc(Cl)cc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
MAPT P10636 6/20 0.43
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KYAT1 Q16773 2/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GPR35 Q9HC97 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL919584 0.85 ABCB1 (0.46) ABCB1MAPTGAAL3MBTL1KYAT1
SCHEMBL919588 0.85 ABCB1 (0.46) ABCB1MAPTGAAL3MBTL1KYAT1
SCHEMBL919048 0.84 ABCB1 (0.40) ABCB1
SCHEMBL919045 0.84 ABCB1 (0.40) ABCB1
SCHEMBL18191123 0.78 MAPT (0.40) ABCB1MAPTGAAL3MBTL1KYAT1
SCHEMBL22031804 0.78 MAPT (0.37) ABCB1MAPTGAAL3MBTL1KYAT1
SCHEMBL3021784 0.77 SMN1; SMN2 (0.48) MAPTGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL3021788 0.77 SMN1; SMN2 (0.48) MAPTGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL3785204 0.76 ABCB1 (0.43) ABCB1MAPTGAAL3MBTL1ALDH1A1
SCHEMBL15506867 0.75 ABCB1 (0.54) ABCB1MAPTGAAL3MBTL1KYAT1

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
EP-2204366-A1 Herbicidal and insecticidal phenyl-substituted pyridazinones Bayer CropScience AG (DE) 2010-07-07 EP disclosed