SCHEMBL8528545

SCHEMBL8528545

CCC1CNC(=S)N(c2cc(Cl)ccc2C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
CHRM1 P11229 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADCY2 Q08462 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL8526108 0.90 ALDH1A1 (0.42) CHRM1ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL8662891 0.80 GAA (0.43) MEN1KMT2ACHRM1HCAR1NPSR1
SCHEMBL8528166 0.76 P2RX7 (0.37) MEN1KMT2AHTR2B
SCHEMBL8525857 0.75 HTR2B (0.40) MEN1KMT2AALDH1A1GAAHTR2C
SCHEMBL8525685 0.73 MGLL (0.41) MEN1KMT2ANPSR1ALDH1A1
SCHEMBL8660438 0.72 ADCY2 (0.47) MEN1KMT2ACHRM1ALDH1A1ADCY2
SCHEMBL8663372 0.72 ALDH1A1 (0.44) MEN1KMT2ACHRM1HCAR1NPSR1
SCHEMBL10569901 0.71 MEN1 (0.52) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL10568509 0.71 MEN1 (0.52) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL10567615 0.71 MEN1 (0.52) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2

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 disclosed
WO-1997032855-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-12 WO disclosed