SCHEMBL31057777

SCHEMBL31057777

O=C(O)CNC(=O)Cc1csc(-c2ccc(O)cc2Cl)n1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SHMT1 P34896 15/20 0.81
▸ SHMT2 P34897 12/20 0.81
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C8 P10632 1/20 0.55
▸ EGLN1 Q9GZT9 1/20 0.52

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
SCHEMBL20255575 0.89 SHMT1 (1.00) SHMT1SHMT2EGLN1
SCHEMBL31057912 0.84 SHMT1 (0.74) SHMT1SHMT2EGLN1
SCHEMBL20255873 0.84 SHMT1 (0.77) SHMT1SHMT2EGLN1
SCHEMBL20255970 0.81 SHMT1 (1.00) SHMT1SHMT2EGLN1
SCHEMBL31057889 0.81 SHMT1 (0.69) SHMT1SHMT2EGLN1
SCHEMBL31057961 0.80 SHMT1 (0.68) SHMT1SHMT2EGLN1
SCHEMBL20255498 0.80 SHMT2 (0.70) SHMT1SHMT2EGLN1
SCHEMBL20255674 0.80 SHMT2 (0.69) SHMT1SHMT2EGLN1
SCHEMBL21560035 0.79 SHMT1 (1.00) SHMT1SHMT2EGLN1
SCHEMBL30163381 0.79 SHMT1 (1.00) SHMT1SHMT2

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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