SCHEMBL30845136

SCHEMBL30845136

NC(=O)OCc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CYP3A4 P08684 9/20 0.39
GRM5 P41594 1/20 0.37
ACACB O00763 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL14969501 0.82 ALDH1A1 (0.43) FDPSALDH1A1PKMCHRM2CHRM1
SCHEMBL8316849 0.81 ALDH1A1 (0.46) FDPSALDH1A1PKMCHRM2CHRM1
SCHEMBL20724252 0.79 ALDH1A1 (0.46) FDPSALDH1A1PKMCHRM2CHRM1
SCHEMBL19765222 0.79 CYP3A4 (0.46) FDPSALDH1A1PKMCHRM2CHRM1
SCHEMBL3432947 0.77 L3MBTL1 (0.47) FDPSALDH1A1PKMCHRM2CHRM1
SCHEMBL4358364 0.77 CYP3A4 (0.47) ALDH1A1PKMCYP3A4
SCHEMBL28594769 0.76 MAPT (0.36) FDPSALDH1A1PKMCYP3A4MAPT
SCHEMBL6912136 0.76
SCHEMBL9599870 0.75 TDP1 (0.53) ALDH1A1CYP3A4LMNAMAPT
SCHEMBL13264272 0.75 CYP3A4 (0.48) ALDH1A1PKMCYP3A4LMNAMAPT

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-113423711-B Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2024-03-15 CN claimed
CN-113423711-B Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2024-03-15 CN disclosed