SCHEMBL21828629

SCHEMBL21828629

NC(Cc1c[nH]cn1)C(=O)NC(CS)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.40
▸ MME P08473 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ PGGT1B P53609 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL8417585 1.00 ACE (0.40) ACEMMEKDM4EMAPTTHRB
SCHEMBL31229006 0.97 ACE (0.38) ACEMMEKDM4EMAPTTHRB
SCHEMBL30287540 0.96 ACE (0.38) ACEMMEKDM4EMAPTTHRB
SCHEMBL28806216 0.96 ACE (0.38) ACEMMEKDM4EMAPTTHRB
SCHEMBL29738491 0.94 MME (0.36) ACEMME
SCHEMBL29761682 0.93 MME (0.43) ACEMMEFNTAFNTBPGGT1B
SCHEMBL29461516 0.92 MME (0.44) ACEMMEFNTAFNTBPGGT1B
SCHEMBL30477919 0.91 FNTA (0.38) ACEMMEFNTAFNTBPGGT1B
SCHEMBL30477913 0.91 FNTA (0.38) ACEMMEFNTAFNTBPGGT1B
SCHEMBL30477914 0.91 FNTA (0.38) ACEMMEFNTAFNTBPGGT1B

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
WO-2020071258-A1 PROTEIN GLYCATION SUPPRESSANT 味の素株式会社 2020-04-09 — — WO disclosed
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