SCHEMBL30845409

SCHEMBL30845409

COC(=O)c1csc2c(C(F)(F)F)c(C)c(O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3F)nc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 2/20 0.45
▸ RBBP4 Q09028 2/20 0.45
▸ SUZ12 Q15022 2/20 0.45
▸ EZH2 Q15910 2/20 0.45
▸ AEBP2 Q6ZN18 2/20 0.45
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ PIK3CD O00329 9/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GPR119 Q8TDV5 5/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL21813545 1.00 EED (0.45) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21813548 1.00 EED (0.45) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL30844980 0.91 UGT8 (0.42) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21862149 0.91 UGT8 (0.42) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21813335 0.88 EED (0.50) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21813815 0.81 UGT8 (0.42) KDM4E
SCHEMBL21813767 0.81 UGT8 (0.42) KDM4E
SCHEMBL21813813 0.81 UGT8 (0.42) KDM4E
SCHEMBL30845110 0.81 UGT8 (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21813658 0.79 EED (0.39) EEDRBBP4SUZ12EZH2AEBP2

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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