Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL28347294

CC1=CC(=O)CC(C)(C)C1.S

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 4/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GLA P06280 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL22522 0.98 ALDH1A1 (0.52) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL7102666 0.98 ALDH1A1 (0.52) ALDH1A1MAPTHPGDKMT2AMEN1
Methane SCHEMBL28856282 0.95 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2AMEN1
Water SCHEMBL9637163 0.95 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL28413847 0.95 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL11132973 0.95 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL271129 0.95 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2AMEN1
Ammonia Solution, Strong SCHEMBL1984334 0.95 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2AMEN1
Ammonia Solution, Strong SCHEMBL7735826 0.95 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2AMEN1
Ammonia Solution, Strong SCHEMBL10613596 0.95 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698454-B Isophorone hydrogen sulfide fluorescent probe and preparation method and application thereof 徐州医科大学 2022-04-15 CN claimed
CN-110698454-A Isophorone hydrogen sulfide fluorescent probe and preparation method and application thereof 徐州医科大学 2020-01-17 CN claimed
CN-110698454-B Isophorone hydrogen sulfide fluorescent probe and preparation method and application thereof 徐州医科大学 2022-04-15 CN disclosed
CN-110698454-B Isophorone hydrogen sulfide fluorescent probe and preparation method and application thereof 徐州医科大学 2022-04-15 CN disclosed
CN-110698454-A Isophorone hydrogen sulfide fluorescent probe and preparation method and application thereof 徐州医科大学 2020-01-17 CN disclosed
CN-110698454-A Isophorone hydrogen sulfide fluorescent probe and preparation method and application thereof 徐州医科大学 2020-01-17 CN disclosed
CN-110698454-A Isophorone hydrogen sulfide fluorescent probe and preparation method and application thereof 徐州医科大学 2020-01-17 CN disclosed