SCHEMBL31057926

SCHEMBL31057926

COCCOc1ccc(-c2nc(CC(=O)NCC(=O)O)cs2)cc1NC(=O)c1cnccc1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 5/20 0.45
▸ SHMT1 P34896 4/20 0.44
▸ EGLN1 Q9GZT9 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ DGAT2 Q96PD7 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ IRAK4 Q9NWZ3 3/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ VCP P55072 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34

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 0.85 SHMT2 (0.52) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057931 0.85 SHMT2 (0.47) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057737 0.84 SHMT2 (0.52) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057885 0.84 SHMT2 (0.47) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057941 0.82 SHMT2 (0.47) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057813 0.73 MAPT (0.42) SHMT2SHMT1ALDH1A1KDM4EHPGD
SCHEMBL20255896 0.73 KDM4E (0.76) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057890 0.72 SHMT2 (0.56) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31057918 0.72 SHMT2 (0.58) SHMT2SHMT1EGLN1ALDH1A1KDM4E
SCHEMBL31058015 0.71 SHMT2 (0.57) SHMT2SHMT1EGLN1ALDH1A1KDM4E

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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