SCHEMBL3787291

SCHEMBL3787291

O=C1SC(=Cc2ccccc2)C(=O)N1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
CISD1 Q9NZ45 2/20 0.48
AKR1B1 P15121 4/20 0.47
THRB P10828 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
AMY1A P0DUB6 1/20 0.44
PTPN1 P18031 1/20 0.44
DPP4 P27487 1/20 0.44
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
DUSP22 Q9NRW4 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8535665 0.85 CISD1 (0.60) MAOAMAOBCISD1MEN1KMT2A
SCHEMBL7456392 0.73 CISD1 (0.53) MAOAMAOBCISD1AKR1B1THRB
SCHEMBL5145722 0.73 CISD1 (0.53) MAOAMAOBCISD1AKR1B1THRB
SCHEMBL11321794 0.73 CISD1 (0.71) MAOAMAOBCISD1THRBKDM4E
SCHEMBL27931454 0.73 CISD1 (0.53) MAOAMAOBCISD1AKR1B1THRB
SCHEMBL8388794 0.73 CISD1 (0.71) MAOAMAOBCISD1THRBKDM4E
SCHEMBL7464201 0.73 CISD1 (0.71) MAOAMAOBCISD1THRBKDM4E
SCHEMBL9911664 0.72 MEN1 (0.62) MAOAMAOBCISD1THRBMEN1
SCHEMBL8012606 0.70 MAPT (0.44) MEN1KMT2APTPN1PIM1PIM3
SCHEMBL14527005 0.70 ALDH1A1 (0.67) MAOAMAOBCISD1AKR1B1MEN1

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
WO-2010082212-A2 N-BIPHENYLACYL THIAZOLIDINE-2,4-DIONE DERIVATIVES, THEIR SYNTHESIS AND USES ELDER PHARMACEUTICALS LTD (IN) 2010-07-22 WO disclosed