SCHEMBL29023735

SCHEMBL29023735

CC(O)C(C)CSc1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.61
CYP1A2 P05177 3/20 0.59
CYP2D6 P10635 3/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HIF1A Q16665 1/20 0.59
MAPT P10636 1/20 0.57
ALDH1A1 P00352 6/20 0.56
HPGD P15428 3/20 0.56
POLB P06746 2/20 0.56
RECQL P46063 1/20 0.56
CYP2C9 P11712 1/20 0.54
STAT6 P42226 1/20 0.54
HTR1A P08908 1/20 0.54
HTR2A P28223 1/20 0.54
HTR7 P34969 1/20 0.54
HSD17B10 Q99714 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52

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
SCHEMBL10037466 0.88 APEX1 (0.64) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL29023739 0.85 APEX1 (0.61) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL10989220 0.84 CYP1A2 (0.67) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL10821618 0.83 APEX1 (0.62) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL29023738 0.83 MAPT (0.66) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL29023730 0.82 CYP1A2 (0.59) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL3026942 0.82 CYP1A2 (0.63) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL3022330 0.82 CYP1A2 (0.63) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL3022326 0.82 CYP1A2 (0.63) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL3026939 0.82 CYP1A2 (0.63) APEX1CYP1A2CYP2D6CYP3A4CYP2C19

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