SCHEMBL28930405

SCHEMBL28930405

CC(NC(=S)S)C(=O)O.[NaH].[NaH]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 0.47
▸ ACE P12821 1/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ RAB9A P51151 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ TSHR P16473 1/20 0.34

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
SCHEMBL28676079 0.95 MME (0.47) MMEACECPA1ACE2RAB9A
SCHEMBL16327074 0.77 — —
SCHEMBL22414041 0.77 CA2 (0.47) MMEACECPA1ACE2RAB9A
SCHEMBL26073718 0.76 MME (0.31) MMEACECPA1ACE2
SCHEMBL8364318 0.73 MME (0.39) MMEACECPA1ACE2RAB9A
SCHEMBL9500789 0.73 — —
SCHEMBL9500795 0.73 — —
SCHEMBL28058105 0.73 — —
SCHEMBL8364322 0.73 MME (0.39) MMEACECPA1ACE2RAB9A
SCHEMBL28725245 0.72 ALDH1A1 (0.33) SMN1; SMN2KDM4EALDH1A1

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
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