SCHEMBL31057933

SCHEMBL31057933

COCOc1ccc(-c2nc(CC(=O)NCC(=O)O)cs2)c(F)c1OCOC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 7/20 0.53
▸ SHMT1 P34896 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ EGLN1 Q9GZT9 2/20 0.43
▸ HPGD P15428 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TP53 P04637 1/20 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
SCHEMBL31058015 0.84 SHMT2 (0.57) SHMT2SHMT1ALDH1A1GAAEGLN1
SCHEMBL31057869 0.83 SHMT2 (0.56) SHMT2SHMT1ALDH1A1GAAEGLN1
SCHEMBL31057890 0.81 SHMT2 (0.56) SHMT2SHMT1ALDH1A1GAAEGLN1
SCHEMBL31057781 0.80 SHMT2 (0.62) SHMT2SHMT1ALDH1A1GAAEGLN1
SCHEMBL31057855 0.80 SHMT2 (0.55) SHMT2SHMT1ALDH1A1GAAEGLN1
SCHEMBL31057774 0.79 SHMT2 (0.56) SHMT2SHMT1ALDH1A1GAAEGLN1
SCHEMBL31057889 0.78 SHMT1 (0.69) SHMT2SHMT1ALDH1A1EGLN1HPGD
SCHEMBL31057793 0.78 SHMT2 (0.55) SHMT2SHMT1ALDH1A1GAAEGLN1
SCHEMBL31057799 0.78 SHMT2 (0.52) SHMT2SHMT1ALDH1A1GAAEGLN1
SCHEMBL31057814 0.77 SHMT2 (0.60) SHMT2SHMT1ALDH1A1GAAEGLN1

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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