SCHEMBL30845444

SCHEMBL30845444

O=C(c1csc2c(C(F)(F)F)cc(N3CC[C@@H](O)[C@H](F)C3)nc12)N1CCC1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ UGT8 Q16880 19/20 0.58
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL21828487 0.99 UGT8 (0.57) UGT8KDM4E
SCHEMBL21813861 0.85 KDM4E (0.59) UGT8KDM4E
SCHEMBL30845417 0.85 KDM4E (0.59) UGT8KDM4E
SCHEMBL21862130 0.85 UGT8 (0.67) UGT8
SCHEMBL30845425 0.85 UGT8 (0.67) UGT8
SCHEMBL21828531 0.84 KDM4E (0.58) UGT8KDM4E
SCHEMBL21862572 0.83 UGT8 (0.65) UGT8KDM4E
SCHEMBL30845109 0.83 UGT8 (0.65) UGT8KDM4E
SCHEMBL21813426 0.81 UGT8 (0.66) UGT8KDM4E
SCHEMBL21814207 0.81 UGT8 (0.67) 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 1 patent. 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 disclosed
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