SCHEMBL9741027

SCHEMBL9741027

FC(F)(F)COc1ncnc(OCC(F)(F)F)c1SCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.39
NPC1 O15118 3/20 0.38
POLB P06746 1/20 0.38
PKM P14618 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CDC7 O00311 2/20 0.38
DBF4 Q9UBU7 2/20 0.38
ALOX15B O15296 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
DAO P14920 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL9741899 0.97 NPSR1 (0.43) NPSR1HSD17B10ALDH1A1TDP1HTT
SCHEMBL9741511 0.93 NR2E3 (0.41) NPSR1HSD17B10ALDH1A1TDP1HTT
SCHEMBL9740941 0.90 NPSR1 (0.41) NPSR1HSD17B10ALDH1A1TDP1HTT
SCHEMBL9741863 0.88 NPSR1 (0.39) NPSR1HSD17B10ALDH1A1TDP1HTT
SCHEMBL9427382 0.80 NR2E3 (0.48) NPSR1HSD17B10ALDH1A1TDP1HTT
SCHEMBL30953885 0.78 HSD17B10 (0.46) NPSR1HSD17B10ALDH1A1TDP1HTT
SCHEMBL9427348 0.77 HSD17B10 (0.42) HSD17B10ALDH1A1TDP1HTTMAPT
SCHEMBL31172557 0.72 RAB9A (0.44) NPSR1ALDH1A1HTTMAPTNPC1
SCHEMBL29838045 0.72 NPSR1 (0.42) NPSR1HSD17B10ALDH1A1MAPTNPC1
SCHEMBL26694307 0.72 NPSR1 (0.42) NPSR1HSD17B10ALDH1A1MAPTNPC1

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-1992006965-A1 HERBICIDAL SULFONYLUREA DERIVATIVES ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1992-04-30 WO disclosed