SCHEMBL8528512

SCHEMBL8528512

CCc1cccc(C(C)C)c1N1C(=O)C(CC)CNC1=S

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ANPEP P15144 6/20 0.36
LMNA P02545 1/20 0.35
P2RX7 Q99572 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8527235 0.85 KMT2A (0.46) DPP4ANPEPLMNAP2RX7CRHBP
SCHEMBL8527036 0.82 FAAH (0.46) DPP4NR1H2NR1H3ANPEPLMNA
SCHEMBL8525857 0.79 HTR2B (0.40) DPP4ANPEPPABPC1KMT2AMEN1
SCHEMBL8528166 0.75 P2RX7 (0.37) LMNAP2RX7PABPC1KMT2AMEN1
SCHEMBL8475825 0.71 POLB (0.47) DPP4NR1H2NR1H3ANPEPLMNA
SCHEMBL8476116 0.70 KMT2A (0.54) DPP4NR1H2NR1H3ANPEPLMNA
SCHEMBL8525685 0.69 MGLL (0.41) LMNANPSR1PABPC1KMT2AMEN1
SCHEMBL29382416 0.69 DPP4 (0.61) DPP4NR1H2NR1H3ANPEPLMNA
SCHEMBL8526206 0.68 MEN1 (0.44) DPP4NR1H2NR1H3ANPEPLMNA
SCHEMBL8526252 0.65 HTR2B (0.37) DPP4ANPEPPABPC1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885197-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 EP claimed
WO-1997032855-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-12 WO claimed