SCHEMBL31534636

SCHEMBL31534636

CCOC(=O)c1sc(-c2ccc(O)c(OC=O)c2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.57
DBF4 Q9UBU7 8/20 0.57
TRPM8 Q7Z2W7 7/20 0.51
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 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
SCHEMBL27838195 1.00 CDC7 (0.57) CDC7DBF4TRPM8MAPTALDH1A1
SCHEMBL15383553 0.87 ALDH1A1 (0.62) CDC7DBF4TRPM8MAPTALDH1A1
SCHEMBL27795018 0.86 RAB9A (0.56) ALDH1A1KDM4EGAAKMT2A
SCHEMBL454793 0.84 CDC7 (0.59) CDC7DBF4TRPM8MAPTALDH1A1
SCHEMBL29627451 0.84 CDC7 (0.59) CDC7DBF4TRPM8MAPTALDH1A1
SCHEMBL12186978 0.83 CDC7 (0.64) CDC7DBF4TRPM8MAPTALDH1A1
SCHEMBL28381444 0.82 CDC7 (0.57) CDC7DBF4TRPM8MAPTALDH1A1
SCHEMBL19523297 0.81 CDC7 (0.62) CDC7DBF4TRPM8MAPTALDH1A1
SCHEMBL455876 0.81 CDC7 (0.62) CDC7DBF4TRPM8MAPTALDH1A1
SCHEMBL8867093 0.81 CDC7 (0.62) CDC7DBF4TRPM8MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072591-B Febuxostat and intermediates and synthesis thereof 杭州朱养心药业有限公司 2025-03-28 CN disclosed
CN-111039891-B Method for synthesizing febuxostat and intermediate thereof 杭州朱养心药业有限公司 2025-03-28 CN disclosed
CN-111039891-B Method for synthesizing febuxostat and intermediate thereof 杭州朱养心药业有限公司 2025-03-28 CN disclosed