SCHEMBL9570601

SCHEMBL9570601

N=C1NC(=O)C(Cc2ccc(SCCCCCSc3ccc(CC4SC(=N)NC4=O)cc3)cc2)S1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.61
MAPT P10636 2/20 0.43
CA2 P00918 1/20 0.40
PPARG P37231 6/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 3/20 0.37
FFAR1 O14842 2/20 0.36
PPARA Q07869 1/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 0.35
CISD1 Q9NZ45 1/20 0.35
MEN1 O00255 2/20 0.34

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 0.86 MAPT (0.60) MAOBMAPTPPARGALDH1A1NPSR1
SCHEMBL9570616 0.85 MAPT (0.61) MAOBMAPTPPARGALDH1A1NPSR1
SCHEMBL9570681 0.84 MAOB (0.69) MAOBMAPTCA2PPARGALDH1A1
SCHEMBL9570622 0.84 MAOB (0.83) MAOBMAPTCA2PPARGALDH1A1
SCHEMBL9617824 0.81 MAPT (0.53) MAOBMAPTPPARGALDH1A1NPSR1
SCHEMBL9570557 0.80 HRH3 (0.58) MAPTPPARGALDH1A1HRH3KMT2A
SCHEMBL6980240 0.78 MAOB (0.60) MAOBMAPTCA2PPARGKMT2A
SCHEMBL9570573 0.78 HRH3 (0.60) MAPTPPARGALDH1A1HRH3KMT2A
SCHEMBL1520158 0.77 MAOB (0.71) MAOBMAPTCA2PPARGALDH1A1
SCHEMBL5213619 0.77 MAOB (0.71) MAOBMAPTCA2PPARGALDH1A1

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