SCHEMBL9570616

SCHEMBL9570616

O=C1NC(=O)C(Cc2ccc(SCCCCSc3ccc(CC4SC(=O)NC4=O)cc3)cc2)S1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
PPARG P37231 10/20 0.55
HRH3 Q9Y5N1 1/20 0.51
FFAR1 O14842 5/20 0.50
MAOA P21397 2/20 0.50
CISD1 Q9NZ45 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PPARA Q07869 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOB P27338 1/20 0.48
CYP3A4 P08684 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9570680 0.99 MAPT (0.60) MAPTPPARGHRH3FFAR1MAOA
SCHEMBL9617824 0.92 MAPT (0.53) MAPTPPARGHRH3FFAR1MAOA
SCHEMBL9570573 0.92 HRH3 (0.60) MAPTPPARGHRH3FFAR1ALDH1A1
SCHEMBL9570557 0.91 HRH3 (0.58) MAPTPPARGHRH3FFAR1ALDH1A1
SCHEMBL9374638 0.88 PPARG (0.56) MAPTPPARGHRH3FFAR1PPARA
SCHEMBL9375245 0.86 PPARG (0.60) MAPTPPARGFFAR1MAOAALDH1A1
SCHEMBL9570601 0.85 MAOB (0.61) MAPTPPARGHRH3FFAR1MAOA
SCHEMBL9570600 0.84 MAPT (0.69) MAPTPPARGHRH3FFAR1MAOA
SCHEMBL9570606 0.84 MAPT (0.69) MAPTPPARGHRH3FFAR1MAOA
SCHEMBL9371924 0.84 PPARG (0.63) MAPTPPARGHRH3FFAR1MAOA

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