SCHEMBL30845426

SCHEMBL30845426

CNC(=O)c1c(N2CCN(CC(=O)NC(C)C)CC2)sc2c(C(F)(F)F)c(C)cnc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ UGT8 Q16880 6/20 0.49
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP11B2 P19099 6/20 0.41
▸ PTPN11 Q06124 1/20 0.38
▸ CYP11B1 P15538 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL30845413 0.83 ALDH1A1 (0.47) UGT8ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL30845050 0.74 UGT8 (0.72) UGT8CYP11B2
SCHEMBL21813748 0.74 UGT8 (0.72) UGT8CYP11B2
SCHEMBL21813409 0.72 UGT8 (0.47) UGT8ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL30845392 0.71 UGT8 (0.43) UGT8ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL21813973 0.71 UGT8 (0.69) UGT8ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL30845007 0.71 UGT8 (0.69) UGT8ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL30845419 0.70 UGT8 (0.71) UGT8CYP11B2
SCHEMBL21813746 0.68 UGT8 (0.68) UGT8ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL21814139 0.66 UGT8 (1.00) 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 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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