SCHEMBL5417237

SCHEMBL5417237

O=C1CSC(c2ccccc2)N1CCC1CCCCN1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL5404020 0.88 LTA4H (0.44) KMT2APTGS1PTGS2POLBALDH1A1
SCHEMBL5403560 0.87 CYP1A2 (0.42) KMT2AMEN1PTGS1PTGS2LMNA
SCHEMBL5392936 0.84 KMT2A (0.41) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL5392572 0.83 LTA4H (0.50) KMT2AMEN1PTGS1PTGS2LMNA
SCHEMBL5398626 0.81 KCNH2 (0.42) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL5406376 0.80 MAPT (0.43) PTGS1PTGS2
SCHEMBL5402972 0.80 ACHE (0.43) KMT2APTGS1PTGS2POLB
SCHEMBL5402531 0.80 LTA4H (0.45) PTGS1PTGS2
SCHEMBL5418655 0.80 PTGS1 (0.51) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL5407260 0.79 CACNA1B (0.49) PTGS1PTGS2

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