SCHEMBL30844944

SCHEMBL30844944

COC(=O)c1csc2c(OC)cc(N3CCC(OC(=O)NC4CC4)CC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ UGT8 Q16880 15/20 0.49
▸ KDM4E B2RXH2 1/20 0.42
▸ OPRK1 P41145 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ SMPD3 Q9NY59 1/20 0.35

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
SCHEMBL21813377 1.00 UGT8 (0.49) UGT8KDM4EOPRK1HRH3SMPD3
SCHEMBL21814080 0.86 UGT8 (0.64) UGT8KDM4E
SCHEMBL21813543 0.86 UGT8 (0.66) UGT8KDM4E
SCHEMBL30845146 0.86 UGT8 (0.64) UGT8KDM4E
SCHEMBL21813832 0.79 UGT8 (0.76) UGT8
SCHEMBL21814077 0.77 UGT8 (0.62) UGT8
SCHEMBL21813991 0.77 UGT8 (0.80) UGT8
SCHEMBL21813885 0.76 UGT8 (0.66) UGT8KDM4E
SCHEMBL21813611 0.75 UGT8 (0.71) UGT8
SCHEMBL21813383 0.74 UGT8 (0.64) UGT8KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423711-B Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2024-03-15 — — CN claimed
CN-113423711-B Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2024-03-15 — — CN disclosed
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