SCHEMBL27782801

SCHEMBL27782801

CCCCNC(=S)Nc1ccc(O)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
HTT P42858 4/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
GAA P10253 2/20 0.54
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.53
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PABPC1 P11940 1/20 0.50
RAB9A P51151 1/20 0.49
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
ACHE P22303 1/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL4346126 0.96 LMNA (0.61) LMNASMN1; SMN2CA1CA2HTT
SCHEMBL27761091 0.83 SMN1; SMN2 (0.58) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL10662740 0.83 LMNA (0.67) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL27761103 0.83 EPHX2 (0.67) CA1CA2HTTKMT2AMEN1
SCHEMBL4348481 0.79 SMN1; SMN2 (0.57) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL4348602 0.79 EPHX2 (0.74) CA1CA2HTTKMT2AMEN1
SCHEMBL4350097 0.79 SMN1; SMN2 (0.54) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL4347106 0.78 MAPT (0.68) LMNASMN1; SMN2CA1CA2HTT
SCHEMBL27782815 0.78 MAPT (0.67) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL10785928 0.77 SMN1; SMN2 (0.71) LMNASMN1; SMN2HTTKMT2AMEN1

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
CN-100546977-C Suppress the new compound and the application thereof of rotamase JERINI AG (DE) 2009-10-07 CN claimed