SCHEMBL30845413

SCHEMBL30845413

CNC(=O)c1c(N2CCN(CC(=O)NC(C)C)CC2)sc2c(C)ccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ UGT8 Q16880 3/20 0.45
▸ PTPN11 Q06124 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP11B2 P19099 4/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM3 P20309 1/20 0.36

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
SCHEMBL30845426 0.83 UGT8 (0.49) ALDH1A1SMN1; SMN2KDM4ETDP1UGT8
SCHEMBL30845392 0.74 UGT8 (0.43) ALDH1A1SMN1; SMN2KDM4ETDP1UGT8
SCHEMBL21813748 0.69 UGT8 (0.72) UGT8CYP11B2
SCHEMBL30845050 0.69 UGT8 (0.72) UGT8CYP11B2
SCHEMBL21814002 0.68 UGT8 (0.77) ALDH1A1SMN1; SMN2KDM4ETDP1UGT8
SCHEMBL30845063 0.68 UGT8 (0.77) ALDH1A1SMN1; SMN2KDM4ETDP1UGT8
SCHEMBL30845419 0.66 UGT8 (0.71) UGT8CYP11B2
SCHEMBL12082132 0.66 GFER (0.57) ALDH1A1SMN1; SMN2KDM4ETDP1LMNA
SCHEMBL21813342 0.65 UGT8 (0.76) ALDH1A1SMN1; SMN2KDM4ETDP1UGT8
SCHEMBL23464917 0.64 CHRM5 (0.75) ALDH1A1SMN1; SMN2KDM4ETDP1KMT2A

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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