SCHEMBL9570635

SCHEMBL9570635

O=C1NC(=O)C(Cc2cccc3c(CC4SC(=O)NC4=O)cccc23)S1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
PPARG P37231 5/20 0.50
CA2 P00918 2/20 0.50
MAOA P21397 2/20 0.49
CISD1 Q9NZ45 2/20 0.49
KCNH2 Q12809 1/20 0.48
MAOB P27338 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
FFAR1 O14842 4/20 0.44
PPARA Q07869 2/20 0.44
MPC2 O95563 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL4089575 0.91 MAPT (0.50) MAPTPPARGCA2MAOACISD1
SCHEMBL8218339 0.85 ALDH1A1 (0.52) MAPTPPARGCA2MAOACISD1
SCHEMBL8687818 0.84 MAPT (0.44) MAPTPPARGCA2MAOACISD1
SCHEMBL13846717 0.81 CA2 (0.47) MAPTPPARGCA2MAOACISD1
SCHEMBL8228771 0.81 CA2 (0.63) MAPTPPARGCA2MAOACISD1
SCHEMBL8172885 0.81 AKT1 (0.53) MAPTPPARGCA2MAOACISD1
SCHEMBL8685380 0.80 CA2 (0.43) MAPTPPARGCA2MAOACISD1
SCHEMBL9570555 0.79 CA2 (0.48) MAPTPPARGCA2FFAR1PPARA
SCHEMBL8932687 0.79 IDO1 (0.54) MAPTPPARGALDH1A1KDM4ELMNA
SCHEMBL13846806 0.78 CA2 (0.47) MAPTPPARGCA2KCNH2FFAR1

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