SCHEMBL5417232

SCHEMBL5417232

O=C1CSC(c2ccccc2)N1CCN1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
ALDH1A1 P00352 1/20 0.68
NPSR1 Q6W5P4 2/20 0.67
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL8444032 0.88 PTGS1 (0.65) LMNANPSR1PTGS1PTGS2MEN1
SCHEMBL5404017 0.86 NPSR1 (0.55) LMNAALDH1A1NPSR1PTGS1PTGS2
SCHEMBL5392930 0.82 NPSR1 (0.52) LMNAALDH1A1NPSR1MEN1KMT2A
SCHEMBL5398622 0.81 NPSR1 (0.50) LMNAALDH1A1NPSR1PTGS1PTGS2
SCHEMBL5392569 0.80 ALDH1A1 (0.61) LMNAALDH1A1NPSR1PTGS1PTGS2
SCHEMBL5403557 0.80 NPSR1 (0.69) LMNAALDH1A1NPSR1MEN1KMT2A
SCHEMBL8635567 0.80 PTGS1 (0.55) LMNANPSR1PTGS1PTGS2MEN1
SCHEMBL7250239 0.78 ACHE (0.66) LMNAALDH1A1NPSR1DRD2DRD3
SCHEMBL5156178 0.78 NPSR1 (0.52) LMNAALDH1A1NPSR1PTGS1PTGS2
SCHEMBL5418650 0.78 PTGS1 (0.60) LMNAALDH1A1NPSR1PTGS1PTGS2

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
US-7169782-B2 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-30 US claimed