SCHEMBL29278085

SCHEMBL29278085

CC(=S)C(C)Cc1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ HPGD P15428 5/20 0.51
▸ UBE2T Q9NPD8 1/20 0.50
▸ ASIC3 Q9UHC3 1/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ MAPT P10636 7/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.43

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
SCHEMBL19987767 0.82 HPGD (0.61) CYP1A2CYP2C19HPGDUBE2TASIC3
SCHEMBL12213527 0.81 UBE2T (0.56) CYP1A2CYP2C19HPGDUBE2TASIC3
SCHEMBL29690519 0.81 UBE2T (0.56) CYP1A2CYP2C19HPGDUBE2TASIC3
SCHEMBL9036466 0.81 HPGD (0.56) CYP1A2CYP2C19HPGDUBE2TASIC3
SCHEMBL2662248 0.80 UBE2T (0.59) CYP1A2CYP2C19HPGDUBE2TASIC3
SCHEMBL30036322 0.78 UBE2T (0.53) CYP1A2CYP2C19HPGDUBE2TASIC3
SCHEMBL24123041 0.78 UBE2T (0.56) CYP1A2CYP2C19HPGDUBE2TASIC3
SCHEMBL14478202 0.78 UBE2T (0.61) CYP1A2CYP2C19HPGDUBE2TASIC3
SCHEMBL14478204 0.78 UBE2T (0.61) CYP1A2CYP2C19HPGDUBE2TASIC3
SCHEMBL9222555 0.76 UBE2T (0.50) CYP1A2CYP2C19HPGDUBE2TASIC3

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-115947678-B Synthesis method of stable isotope 2H (D) marked 25-hydroxy vitamin D2 成都诺森医学检验有限公司 2024-01-16 — — CN disclosed
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