SCHEMBL31057869

SCHEMBL31057869

COCOc1ccc(-c2nc(CC(=O)NCC(=O)O)cs2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 8/20 0.56
▸ SHMT1 P34896 7/20 0.56
▸ EGLN1 Q9GZT9 1/20 0.46
▸ HPGD P15428 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ DGAT2 Q96PD7 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31057774 0.90 SHMT2 (0.56) SHMT2SHMT1EGLN1HPGDALDH1A1
SCHEMBL31057793 0.89 SHMT2 (0.55) SHMT2SHMT1EGLN1HPGDALDH1A1
SCHEMBL31057889 0.89 SHMT1 (0.69) SHMT2SHMT1EGLN1HPGDALDH1A1
SCHEMBL31057799 0.89 SHMT2 (0.52) SHMT2SHMT1EGLN1HPGDALDH1A1
SCHEMBL31057933 0.83 SHMT2 (0.53) SHMT2SHMT1EGLN1HPGDALDH1A1
SCHEMBL31058015 0.83 SHMT2 (0.57) SHMT2SHMT1EGLN1HPGDALDH1A1
SCHEMBL31057898 0.83 SHMT2 (0.54) SHMT2SHMT1EGLN1HPGDALDH1A1
SCHEMBL31057961 0.80 SHMT1 (0.68) SHMT2SHMT1EGLN1HPGDALDH1A1
SCHEMBL20255869 0.79 SHMT2 (0.67) SHMT2SHMT1EGLN1HPGDALDH1A1
SCHEMBL31057807 0.79 SHMT2 (0.56) SHMT2SHMT1EGLN1HPGDALDH1A1

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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