SCHEMBL31057795

SCHEMBL31057795

COCOc1ccc(-c2nc(CC(=O)NCc3nnn[nH]3)cs2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SHMT1 P34896 11/20 0.46
▸ SHMT2 P34897 11/20 0.46
▸ DGAT2 Q96PD7 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ EIF4E P06730 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ EGLN1 Q9GZT9 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
SCHEMBL31057889 0.82 SHMT1 (0.69) SHMT1SHMT2EIF4EALDH1A1EGLN1
SCHEMBL31057785 0.81 SHMT1 (0.51) SHMT1SHMT2TP53EIF4EALDH1A1
SCHEMBL31057911 0.79 KDM4E (0.55) SHMT1SHMT2EIF4EALDH1A1GAA
SCHEMBL31057961 0.74 SHMT1 (0.68) SHMT1SHMT2ALDH1A1EGLN1
SCHEMBL31057912 0.72 SHMT1 (0.74) SHMT1SHMT2EIF4EALDH1A1GAA
SCHEMBL31057774 0.72 SHMT2 (0.56) SHMT1SHMT2ALDH1A1GAAEGLN1
SCHEMBL31057869 0.72 SHMT2 (0.56) SHMT1SHMT2DGAT2TP53ALDH1A1
SCHEMBL31057793 0.71 SHMT2 (0.55) SHMT1SHMT2TP53ALDH1A1GAA
SCHEMBL21560016 0.66 SHMT1 (0.74) SHMT1SHMT2ALDH1A1GAAEGLN1
SCHEMBL31057781 0.66 SHMT2 (0.62) SHMT1SHMT2TP53ALDH1A1GAA

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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