SCHEMBL31057912

SCHEMBL31057912

COc1ccc(-c2nc(CC(=O)NCC(=O)O)cs2)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SHMT1 P34896 12/20 0.74
▸ SHMT2 P34897 12/20 0.74
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ EIF4E P06730 1/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.46
▸ GAA P10253 1/20 0.45

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
SCHEMBL31057889 0.90 SHMT1 (0.69) SHMT1SHMT2KDM4EALDH1A1HPGD
SCHEMBL31057961 0.89 SHMT1 (0.68) SHMT1SHMT2KDM4EALDH1A1HPGD
SCHEMBL20255575 0.85 SHMT1 (1.00) SHMT1SHMT2EGLN1
SCHEMBL31578883 0.85 SHMT2 (0.67) SHMT1SHMT2KDM4EALDH1A1HPGD
SCHEMBL31057777 0.84 SHMT1 (0.81) SHMT1SHMT2EGLN1
SCHEMBL21560184 0.83 ALDH1A1 (0.75) SHMT1SHMT2KDM4EALDH1A1HPGD
SCHEMBL31578626 0.83 SHMT2 (0.64) SHMT1SHMT2KDM4EALDH1A1HPGD
SCHEMBL21560021 0.83 SHMT2 (0.62) SHMT1SHMT2KDM4EALDH1A1HPGD
SCHEMBL20255873 0.81 SHMT1 (0.77) SHMT1SHMT2KDM4EALDH1A1HPGD
SCHEMBL31057793 0.80 SHMT2 (0.55) SHMT1SHMT2KDM4EALDH1A1HPGD

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
Send feedback