SCHEMBL31057887

SCHEMBL31057887

CCOC(=O)CNC(=O)Cc1csc(-c2ccc(OCCOC)c(N)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ SHMT1 P34896 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ TP53 P04637 2/20 0.40
▸ THRB P10828 1/20 0.39
▸ DCK P27707 1/20 0.39
▸ POLB P06746 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
SCHEMBL31578742 0.85 SMN1; SMN2 (0.44) SHMT2ALDH1A1KDM4EGAAHPGD
SCHEMBL31057813 0.84 MAPT (0.42) SHMT2ALDH1A1KDM4EGAAHPGD
SCHEMBL31578832 0.78 SHMT2 (0.54) SHMT2ALDH1A1KDM4EGAAHPGD
SCHEMBL31578724 0.78 SHMT2 (0.53) SHMT2ALDH1A1KDM4EGAAHPGD
SCHEMBL31578879 0.78 SHMT2 (0.48) SHMT2ALDH1A1KDM4EGAAHPGD
SCHEMBL31578885 0.77 SHMT2 (0.52) SHMT2ALDH1A1KDM4EHPGDSHMT1
SCHEMBL31057952 0.76 SHMT2 (0.52) SHMT2ALDH1A1KDM4EGAAHPGD
SCHEMBL31057737 0.75 SHMT2 (0.52) SHMT2ALDH1A1KDM4EGAAHPGD
SCHEMBL31578791 0.74 MAPK1 (0.45) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL31057890 0.72 SHMT2 (0.56) SHMT2ALDH1A1KDM4EGAAHPGD

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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