SCHEMBL31057941

SCHEMBL31057941

COCCOc1ccc(-c2nc(CC(=O)NCC(=O)O)cs2)cc1NC(=O)c1nc[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 5/20 0.47
▸ SHMT1 P34896 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.39
▸ VCP P55072 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36

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
SCHEMBL31057952 0.87 SHMT2 (0.52) SHMT2SHMT1ALDH1A1HPGDKDM4E
SCHEMBL31057737 0.87 SHMT2 (0.52) SHMT2SHMT1ALDH1A1HPGDKDM4E
SCHEMBL31057931 0.84 SHMT2 (0.47) SHMT2SHMT1ALDH1A1HPGDKDM4E
SCHEMBL31057885 0.83 SHMT2 (0.47) SHMT2SHMT1ALDH1A1HPGDKDM4E
SCHEMBL31057926 0.82 SHMT2 (0.45) SHMT2SHMT1ALDH1A1HPGDKDM4E
SCHEMBL31057813 0.77 MAPT (0.42) SHMT2SHMT1ALDH1A1HPGDKDM4E
SCHEMBL20255896 0.75 KDM4E (0.76) SHMT2SHMT1ALDH1A1HPGDKDM4E
SCHEMBL31057890 0.74 SHMT2 (0.56) SHMT2SHMT1ALDH1A1HPGDKDM4E
SCHEMBL31057781 0.73 SHMT2 (0.62) SHMT2SHMT1ALDH1A1HPGDKDM4E
SCHEMBL31057855 0.73 SHMT2 (0.55) SHMT2SHMT1ALDH1A1HPGDKDM4E

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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