SCHEMBL29080320

SCHEMBL29080320

CN(C)c1c(CC=S)cccc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.38
HMGB1 P09429 1/20 0.37
FOLH1 Q04609 2/20 0.37
MYC P01106 1/20 0.36
MASP2 O00187 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.34
ABCC1 P33527 4/20 0.34
HTT P42858 1/20 0.34
PTPN1 P18031 2/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL129586 0.82 CLCN2 (0.50) CLCN2HMGB1FOLH1MYCALDH1A1
SCHEMBL458659 0.77 ALDH1A1 (0.52) HMGB1MYCMASP2ALDH1A1ALOX15
SCHEMBL2889630 0.75 ALDH1A1 (0.43) CLCN2HMGB1FOLH1ALDH1A1ALOX15
SCHEMBL8459174 0.74 BID (0.52) ALOX15KDM4EHSD17B10
SCHEMBL4877389 0.73 BID (0.55) ALOX15KDM4EHSD17B10
SCHEMBL16835572 0.71 ALDH1A1 (0.53) HMGB1MYCMASP2ALDH1A1ALOX15
SCHEMBL10455717 0.71 MMP2 (0.57) MYCALDH1A1ALOX15KDM4EHPGD
SCHEMBL6646719 0.71 ALDH1A1 (0.57) MYCALDH1A1ALOX15KDM4EHPGD
SCHEMBL29579190 0.71 ALDH1A1 (0.53) HMGB1MYCMASP2ALDH1A1ALOX15
SCHEMBL29023625 0.70 SLC16A3 (0.39) HMGB1FOLH1ALDH1A1KDM4EHSD17B10

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-116554063-A Preparation method of flusulfamuron intermediate 江苏省农用激素工程技术研究中心有限公司 2023-08-08 CN claimed