SCHEMBL9570641

SCHEMBL9570641

O=C1NC(=O)C(Cc2ccc(S(=O)(=O)CCCCS(=O)(=O)c3ccc(CC4SC(=O)NC4=O)cc3)cc2)S1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
PPARG P37231 7/20 0.53
MAOA P21397 2/20 0.50
CISD1 Q9NZ45 2/20 0.50
MAOB P27338 1/20 0.50
FFAR1 O14842 4/20 0.49
PPARA Q07869 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PTPN1 P18031 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL9570607 0.91 HRH3 (0.57) MAPTPPARGFFAR1PPARAALDH1A1
SCHEMBL9374608 0.90 PPARG (0.56) MAPTPPARGMAOACISD1MAOB
SCHEMBL9371198 0.85 PPARG (0.57) MAPTPPARGMAOACISD1MAOB
SCHEMBL9570631 0.85 MAPT (0.67) MAPTPPARGMAOACISD1MAOB
SCHEMBL1072830 0.84 PPARG (0.62) MAPTPPARGMAOACISD1MAOB
SCHEMBL9372972 0.84 PPARG (0.59) MAPTPPARGMAOACISD1MAOB
SCHEMBL9570559 0.83 MAPT (0.83) MAPTPPARGMAOACISD1MAOB
SCHEMBL6075040 0.82 MAPT (0.63) MAPTPPARGMAOACISD1MAOB
SCHEMBL9372807 0.82 PPARG (0.60) MAPTPPARGMAOACISD1MAOB
SCHEMBL9062703 0.81 FFAR1 (0.54) MAPTPPARGFFAR1PPARAALDH1A1

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
EP-0533933-A1 BISHETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 EP disclosed