SCHEMBL30845016

SCHEMBL30845016

CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
UGT8 Q16880 19/20 0.78
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL21813630 0.92 UGT8 (0.81) UGT8KDM4E
SCHEMBL21862140 0.91 UGT8 (0.76) UGT8KDM4E
SCHEMBL30845124 0.91 UGT8 (0.76) UGT8KDM4E
SCHEMBL21813383 0.90 UGT8 (0.64) UGT8KDM4E
SCHEMBL21862162 0.89 UGT8 (0.77) UGT8
SCHEMBL21813987 0.89 UGT8 (0.77) UGT8
SCHEMBL21813601 0.88 UGT8 (0.75) UGT8KDM4E
SCHEMBL21813991 0.88 UGT8 (0.80) UGT8
SCHEMBL21813579 0.87 UGT8 (0.71) UGT8
SCHEMBL21862422 0.87 UGT8 (0.81) UGT8

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