SCHEMBL31057918

SCHEMBL31057918

COCOc1ccc(-c2nc(CC(=O)NCC(=O)O)cs2)cn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 5/20 0.58
▸ SHMT1 P34896 4/20 0.54
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ LMNA P02545 2/20 0.43
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ TP53 P04637 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL31057890 0.84 SHMT2 (0.56) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL31057781 0.83 SHMT2 (0.62) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL31058015 0.83 SHMT2 (0.57) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL31057855 0.83 SHMT2 (0.55) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL31057898 0.80 SHMT2 (0.54) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL21560184 0.80 ALDH1A1 (0.75) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL5469319 0.79 KDM4E (0.68) KDM4EALDH1A1HPGDEGLN1GAA
SCHEMBL20255444 0.79 SHMT2 (0.68) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL20255507 0.78 SHMT2 (0.71) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL20255896 0.78 KDM4E (0.76) SHMT2SHMT1KDM4EALDH1A1HPGD

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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