Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL29093271

COc1ccc(-c2cccs2)cc1.S

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
KDM4E B2RXH2 3/20 0.58
PKM P14618 1/20 0.58
APP P05067 3/20 0.55
PDE10A Q9Y233 1/20 0.55
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL23951 0.98 MAPT (0.59) MAPTNPC1RAB9AKDM4EPKM
SCHEMBL29173072 0.96 MAPT (0.58) MAPTNPC1RAB9AKDM4EPKM
SCHEMBL28486325 0.96 MAPT (0.58) MAPTNPC1RAB9AKDM4EPKM
SCHEMBL31589404 0.88 MAPT (0.51) MAPTNPC1RAB9AKDM4EPKM
SCHEMBL12393767 0.85 APP (0.69) MAPTNPC1RAB9AKDM4EPKM
SCHEMBL8411884 0.85 KDM4E (0.60) MAPTNPC1RAB9AKDM4EPKM
SCHEMBL7852393 0.81 MAPT (0.60) MAPTNPC1RAB9AKDM4EPKM
SCHEMBL9796767 0.81 LTA4H (0.55) MAPTNPC1RAB9AKDM4EPKM
SCHEMBL22280 0.81 NPC1 (0.62) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL28878462 0.80 RAB9A (0.60) MAPTNPC1RAB9AKDM4EPKM

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
CN-114890961-B Preparation method of visible light catalytic arylation aza uracil 郑州大学 2023-11-14 CN disclosed
CN-114805226-B Preparation method of visible light catalytic arylation quinoxalinone compound 郑州大学 2023-10-27 CN disclosed