SCHEMBL8795182

SCHEMBL8795182

COC(=O)Oc1cnn(C)c1SCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.44
PKM P14618 2/20 0.44
NR2E3 Q9Y5X4 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR1 O14842 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL18209784 0.86 MAPT (0.45) MAPTGAAPKMNR2E3ALDH1A1
SCHEMBL8630935 0.80 PKM (0.54) MAPTGAAPKMALDH1A1CYP1A2
SCHEMBL18209747 0.78 GAA (0.47) MAPTGAAPKMALDH1A1CYP1A2
SCHEMBL3176170 0.76 PKM (0.50) MAPTGAAPKMALDH1A1CYP2C9
SCHEMBL8795559 0.76 GAA (0.45) MAPTGAAPKMALDH1A1CYP1A2
SCHEMBL3165756 0.74 GAA (0.46) MAPTGAAPKMALDH1A1CYP1A2
SCHEMBL18215116 0.74 IDO1 (0.43) MAPTGAAPKMALDH1A1CYP1A2
SCHEMBL23863535 0.73 MAPT (0.52) MAPTGAAPKMNR2E3ALDH1A1
SCHEMBL10719117 0.72 ALDH1A1 (0.55) MAPTGAAPKMALDH1A1CYP1A2
SCHEMBL8795647 0.72 L3MBTL1 (0.64) MAPTGAAPKMALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0645386-B1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1997-12-29 EP disclosed
EP-0645386-A1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1995-03-29 EP disclosed