SCHEMBL28291289

SCHEMBL28291289

C#CCOC(=O)c1cccc2nccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
MAPT P10636 5/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.48
ESR1 P03372 1/20 0.41
PKM P14618 1/20 0.40
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL15465667 0.82 TSHR (0.56) MAPTHSD17B10LMNANPSR1HTT
SCHEMBL3627075 0.77 NPC1 (1.00) NPC1MAPTHSD17B10LMNANPSR1
SCHEMBL8334105 0.76 MAPT (0.55) MAPTHSD17B10LMNATSHRESR1
SCHEMBL27844125 0.76 TSHR (0.61) MAPTHSD17B10LMNATSHRTDP1
SCHEMBL27660958 0.73 MAPT (0.48) MAPTHSD17B10LMNAHTTESR1
SCHEMBL2834927 0.73 NPC1 (0.82) NPC1MAPTHSD17B10LMNANPSR1
SCHEMBL30379936 0.72 ALDH1A1 (0.56) NPC1MAPTHSD17B10LMNANPSR1
SCHEMBL950048 0.72 ALDH1A1 (0.56) NPC1MAPTHSD17B10LMNANPSR1
SCHEMBL7872643 0.72 NPC1 (0.69) NPC1MAPTHSD17B10LMNANPSR1
SCHEMBL28536823 0.72 TSHR (0.50) NPC1MAPTHSD17B10HTTTSHR

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
CN-109640961-A Polyalkylene oxides-asparagine enzyme preparation and its preparation and application 施维雅知识产权英国有限公司 2019-04-16 CN disclosed