SCHEMBL24536034

SCHEMBL24536034

CC(C)c1csc(C(=O)CCc2ccc(C#N)nn2)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 5/20 0.34
▸ TRPA1 O75762 1/20 0.31
▸ PLA2G4A P47712 1/20 0.30
▸ UCHL1 P09936 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL24536020 0.82 PANK3 (0.35) PANK3HDAC1HDAC6
SCHEMBL21423857 0.75 PANK3 (0.36) PANK3UCHL1
SCHEMBL12101028 0.72 PLA2G4A (0.47) TRPA1PLA2G4AUCHL1
SCHEMBL26501801 0.71 POLB (0.33) TRPA1
SCHEMBL24535611 0.70 PANK3 (0.37) PANK3HDAC1HDAC6
SCHEMBL21424026 0.68 PANK3 (0.36) PANK3UCHL1
SCHEMBL24536032 0.68 MEN1 (0.53) HDAC1
SCHEMBL24536033 0.68 PANK3 (0.33) PANK3
SCHEMBL21424027 0.66 CYP1A2 (0.42) PANK3
SCHEMBL27588098 0.65 CYP1A2 (0.39) TRPA1UCHL1

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-2022133034-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2022-06-23 — — WO disclosed
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