SCHEMBL8444032

SCHEMBL8444032

O=C1CSC(c2ccccc2)N1CCN1C(=O)CSC1c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.65
PTGS2 P35354 1/20 0.65
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL8635567 0.90 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL5417232 0.88 LMNA (0.68) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL8633070 0.88 PTGS1 (0.52) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL2101055 0.86 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL8635508 0.86 MEN1 (0.54) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL7204874 0.83 CYP2C9 (0.56) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL27389982 0.83 CYP2C9 (0.53) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL27410012 0.83 CYP2C9 (0.50) PTGS1PTGS2MEN1KMT2ACYP2C9
SCHEMBL3549503 0.81 CYP2C9 (0.61) MEN1KMT2APOLBCYP2C9CYP2C19
SCHEMBL13501913 0.81 MEN1 (0.56) PTGS1PTGS2MEN1KMT2ACYP2C9

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-5998452-A CARDIOVASCULAR DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-12-07 US claimed