SCHEMBL6224486

SCHEMBL6224486

CC(C)(C)SNC(=O)Nc1cc(Cl)c(O)c(-c2nc3ccccc3s2)c1.CC(CC(=O)O)CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
THRB P10828 2/20 0.42
MAPT P10636 11/20 0.40
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 3/20 0.40
CTSD P07339 1/20 0.39
ALOX5 P09917 1/20 0.38
EPHX2 P34913 1/20 0.38
RXFP1 Q9HBX9 3/20 0.38
TP53 P04637 3/20 0.38
POLB P06746 3/20 0.37
MGLL Q99685 1/20 0.37
PSMD14 O00487 1/20 0.37
NPC1 O15118 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL4341723 0.89 MAPT (0.49) SMN1; SMN2THRBMAPTKDM4EMEN1
SCHEMBL6224490 0.86 MAPT (0.44) SMN1; SMN2THRBMAPTKDM4EMEN1
SCHEMBL12846511 0.85 SMN1; SMN2 (0.49) SMN1; SMN2THRBMAPTKDM4EMEN1
SCHEMBL4354538 0.80 SMN1; SMN2 (0.52) SMN1; SMN2THRBMAPTKDM4EMEN1
SCHEMBL4352804 0.77 MAPT (0.56) SMN1; SMN2THRBMAPTKDM4EMEN1
SCHEMBL4347962 0.74 MAPT (0.48) SMN1; SMN2THRBMAPTKDM4EMEN1
SCHEMBL4344552 0.74 NAMPT (0.57) SMN1; SMN2THRBMAPTKDM4EMEN1
SCHEMBL12846756 0.74 TP53 (0.49) SMN1; SMN2THRBMAPTKDM4EMEN1
SCHEMBL4347124 0.72 EPHX2 (0.48) SMN1; SMN2THRBMAPTKDM4EMEN1
SCHEMBL4561504 0.72 MAPT (0.54) SMN1; SMN2THRBMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed