SCHEMBL31057898

SCHEMBL31057898

COCOc1ccc(-c2nc(CC(=O)NCC(=O)O)cs2)nc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 7/20 0.54
▸ SHMT1 P34896 5/20 0.51
▸ EGLN1 Q9GZT9 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ GAA P10253 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ LMNA P02545 2/20 0.38

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
SCHEMBL31057869 0.83 SHMT2 (0.56) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057774 0.83 SHMT2 (0.56) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057793 0.82 SHMT2 (0.55) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057889 0.82 SHMT1 (0.69) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057918 0.80 SHMT2 (0.58) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057799 0.80 SHMT2 (0.52) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL21560184 0.77 ALDH1A1 (0.75) SHMT2SHMT1ALDH1A1KDM4EHPGD
SCHEMBL31057890 0.77 SHMT2 (0.56) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057855 0.76 SHMT2 (0.55) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057933 0.76 SHMT2 (0.53) SHMT2SHMT1EGLN1ALDH1A1KDM4E

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-2024173718-A2 HETEROBIFUNCTIONAL BINDERS OF KLHDC2 ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2024-08-22 — — WO disclosed
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