SCHEMBL27782816

SCHEMBL27782816

CCCCNC(=S)Nc1cc(Cl)c(O)c(C(C)O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
LMNA P02545 5/20 0.52
HTT P42858 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RECQL P46063 1/20 0.40
PABPC1 P11940 1/20 0.40
ALOX12 P18054 1/20 0.39

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
SCHEMBL4351418 0.96 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL27761078 0.85 EPHX2 (0.51) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL4348481 0.83 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL4351157 0.81 EPHX2 (0.56) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL4351932 0.81 KDM4E (0.41) LMNAHTTKMT2AMEN1MAPT
SCHEMBL4350105 0.81 MAPT (0.55) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL6227601 0.81 EPHX1 (0.44) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL27761077 0.80 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL4354075 0.79 IDO1 (0.46) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL4342192 0.78 MAPT (0.53) SMN1; SMN2LMNAHTTKMT2AMEN1

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