SCHEMBL31057911

SCHEMBL31057911

COCOc1ccc(-c2nc(CC(=O)O)cs2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ SHMT1 P34896 9/20 0.51
▸ SHMT2 P34897 6/20 0.51
▸ GAA P10253 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.48
▸ EIF4E P06730 2/20 0.46
▸ PPARG P37231 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.43

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 0.89 SHMT1 (0.69) KDM4EALDH1A1HPGDSHMT1SHMT2
SCHEMBL31057785 0.83 SHMT1 (0.51) KDM4EALDH1A1HPGDSHMT1SHMT2
SCHEMBL31057961 0.79 SHMT1 (0.68) KDM4EALDH1A1HPGDSHMT1SHMT2
SCHEMBL31057795 0.79 SHMT1 (0.46) ALDH1A1SHMT1SHMT2GAAEIF4E
SCHEMBL31057912 0.77 SHMT1 (0.74) KDM4EALDH1A1HPGDSHMT1SHMT2
SCHEMBL31057869 0.77 SHMT2 (0.56) KDM4EALDH1A1HPGDSHMT1SHMT2
SCHEMBL31057774 0.77 SHMT2 (0.56) KDM4EALDH1A1HPGDSHMT1SHMT2
SCHEMBL31057793 0.76 SHMT2 (0.55) KDM4EALDH1A1HPGDSHMT1SHMT2
SCHEMBL20241767 0.75 KDM4E (0.68) KDM4EALDH1A1HPGDSHMT1SHMT2
SCHEMBL31057864 0.75 ACKR3 (0.49) KDM4EALDH1A1HPGDSHMT1SHMT2

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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