SCHEMBL3467663

SCHEMBL3467663

O=S(=O)(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.74
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
ABL1 P00519 4/20 0.48
SRC P12931 4/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3467362 0.81 CA1 (0.54) CA1HTTALDH1A1
SCHEMBL3467885 0.81 ALDH1A1 (0.65) CA1MEN1MAPTKMT2ALMNA
SCHEMBL3467985 0.77 CA1 (0.57) CA1MEN1KMT2ALMNAHTT
SCHEMBL3467516 0.76 L3MBTL1 (0.71) CA1MEN1MAPTKMT2AABL1
SCHEMBL3467359 0.74 ALDH1A1 (0.52) CA1MEN1MAPTKMT2ALMNA
SCHEMBL3466833 0.73 ALDH1A1 (0.54) MEN1MAPTKMT2ALMNAALDH1A1
SCHEMBL3468791 0.72 ALDH1A1 (0.55) CA1MEN1MAPTKMT2ALMNA
SCHEMBL3468523 0.72 ALDH1A1 (0.52) CA1MEN1MAPTKMT2ALMNA
SCHEMBL3466755 0.72 ALDH1A1 (0.62) CA1MEN1MAPTKMT2ALMNA
SCHEMBL5389976 0.72 ALDH1A1 (0.58) CA1MEN1KMT2ALMNAHTT

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
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO claimed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed