SCHEMBL28680422

SCHEMBL28680422

O=C(O)CNC(=S)S.[NaH].[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
PTGS2 P35354 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABAT P80404 1/20 0.41
EGLN1 Q9GZT9 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
MME P08473 6/20 0.36
ACE P12821 2/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
CTH P32929 1/20 0.36
APEX1 P27695 1/20 0.34
ECE1 P42892 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL4212843 0.97
SCHEMBL28683290 0.95 ALDH1A1 (0.43) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL28671456 0.95 ALDH1A1 (0.43) ALDH1A1MAPTLMNAPTGS2TDP1
Ammonia Solution, Strong SCHEMBL29051558 0.95
Ammonia Solution, Strong SCHEMBL27985051 0.95 ALDH1A1 (0.43) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL5664713 0.75 ABAT (0.56) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL11140818 0.75
SCHEMBL15976374 0.75
SCHEMBL21671253 0.74
Succinic Acid SCHEMBL28269319 0.74 HSD17B10 (0.50) ALDH1A1LMNAEGLN1HPGDHSD17B10

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-110035829-B Depressant composition and method for depressing gangue sulfide minerals during flotation of sulfide ores 塞特工业公司 2021-12-24 CN disclosed