SCHEMBL8526252

SCHEMBL8526252

C=CCC1CNC(=S)N(c2c(C)cccc2C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.37
OPRM1 P35372 3/20 0.37
HRH2 P25021 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
AADAT Q8N5Z0 1/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PABPC1 P11940 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
MDM2 Q00987 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD4 P21917 1/20 0.31
HTR7 P34969 1/20 0.31
OPRK1 P41145 1/20 0.31
SLC6A3 Q01959 1/20 0.31
DPP4 P27487 3/20 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
SCHEMBL8525857 0.84 HTR2B (0.40) HTR2BOPRM1HRH2MEN1KMT2A
SCHEMBL8527235 0.77 KMT2A (0.46) HTR2BOPRM1HRH2MEN1KMT2A
SCHEMBL8528166 0.77 P2RX7 (0.37) HTR2BOPRM1HRH2MEN1KMT2A
SCHEMBL6268738 0.67 TSHR (0.41) MEN1KMT2AAADATGAAALDH1A1
SCHEMBL8475138 0.67 KMT2A (0.64) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL8528512 0.65 DPP4 (0.39) MEN1KMT2AALDH1A1PABPC1DPP4
SCHEMBL8526296 0.65 MEN1 (0.51) HTR2BOPRM1HRH2MEN1KMT2A
SCHEMBL10568945 0.63 ALDH1A1 (0.51) MEN1KMT2AAADATGAATP53
SCHEMBL10568980 0.63 ALDH1A1 (0.51) MEN1KMT2AAADATGAATP53
SCHEMBL8664646 0.62 ALDH1A1 (0.41) HTR2BOPRM1MEN1KMT2AGAA

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