SCHEMBL31057793

SCHEMBL31057793

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 10/20 0.55
▸ SHMT1 P34896 9/20 0.55
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.46
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TP53 P04637 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
SCHEMBL31057869 0.89 SHMT2 (0.56) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL31057774 0.89 SHMT2 (0.56) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL31057889 0.88 SHMT1 (0.69) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL31057855 0.82 SHMT2 (0.55) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL31057898 0.82 SHMT2 (0.54) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL31057799 0.80 SHMT2 (0.52) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL31057912 0.80 SHMT1 (0.74) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL31057961 0.80 SHMT1 (0.68) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL20241767 0.79 KDM4E (0.68) SHMT2SHMT1KDM4EALDH1A1HPGD
SCHEMBL31057933 0.78 SHMT2 (0.53) 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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