SCHEMBL29023729

SCHEMBL29023729

CC(Cc1nc2ccccc2s1)C(C)(C)S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2T Q9NPD8 1/20 0.50
▸ ASIC3 Q9UHC3 1/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ HPGD P15428 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41

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
SCHEMBL29023734 0.88 UBE2T (0.47) UBE2TASIC3LOXL2HPGDCYP1A2
SCHEMBL2662248 0.84 UBE2T (0.59) UBE2TASIC3LOXL2HPGDCYP1A2
SCHEMBL29023737 0.78 UBE2T (0.53) UBE2TASIC3LOXL2HPGDCYP1A2
SCHEMBL12213527 0.78 UBE2T (0.56) UBE2TASIC3LOXL2HPGDCYP1A2
SCHEMBL14478204 0.78 UBE2T (0.61) UBE2TASIC3LOXL2HPGDCYP1A2
SCHEMBL24123041 0.78 UBE2T (0.56) UBE2TASIC3LOXL2HPGDCYP1A2
SCHEMBL29690519 0.78 UBE2T (0.56) UBE2TASIC3LOXL2HPGDCYP1A2
SCHEMBL14478202 0.78 UBE2T (0.61) UBE2TASIC3LOXL2HPGDCYP1A2
SCHEMBL24691386 0.75 UBE2T (0.53) UBE2TASIC3LOXL2HPGDCYP1A2
SCHEMBL30950696 0.75 UBE2T (0.53) UBE2TASIC3LOXL2HPGDCYP1A2

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 2 patents. 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
CN-115947678-A Synthetic method of stable isotope 2H (D) labeled 25-hydroxy vitamin D2 成都诺森医学检验有限公司 2023-04-11 — — CN disclosed
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