SCHEMBL29278084

SCHEMBL29278084

CC(S)(C=O)Cc1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2T Q9NPD8 1/20 0.49
▸ ASIC3 Q9UHC3 1/20 0.49
▸ HPGD P15428 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ HTT P42858 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL1691702 0.79 UBE2T (0.59) UBE2TASIC3HPGDCYP1A2CYP2C19
SCHEMBL10767668 0.78 UBE2T (0.62) UBE2TASIC3HPGDCYP1A2CYP2C19
SCHEMBL29023745 0.78 UBE2T (0.50) UBE2TASIC3HPGDCYP1A2CYP2C19
SCHEMBL11047151 0.77 SMN1; SMN2 (0.49) UBE2TASIC3HPGDCYP1A2CYP2C19
SCHEMBL9065841 0.76 UBE2T (0.56) UBE2TASIC3HPGDCYP1A2CYP2C19
SCHEMBL2134708 0.75 UBE2T (0.54) UBE2TASIC3HPGDCYP1A2CYP2C19
SCHEMBL15812327 0.74 UBE2T (0.62) UBE2TASIC3HPGDCYP1A2CYP2C19
SCHEMBL6510681 0.73 SMN1; SMN2 (0.56) UBE2TASIC3HPGDCYP1A2CYP2C19
SCHEMBL31595800 0.73 SMN1; SMN2 (0.56) UBE2TASIC3HPGDCYP1A2CYP2C19
SCHEMBL1417362 0.73 UBE2T (0.56) UBE2TASIC3HPGDCYP1A2CYP2C19

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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