SCHEMBL8744835

SCHEMBL8744835

CSCCC(NC(=O)Cc1c(C)cc(C)cc1C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
FNTA P49354 4/20 0.47
FNTB P49356 4/20 0.47
USP2 O75604 2/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
PGGT1B P53609 2/20 0.46

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
SCHEMBL8744841 1.00 MEN1 (0.51) MEN1KMT2AMAPK1ALDH1A1NPSR1
SCHEMBL8744755 0.87 MAPK1 (0.40) MEN1KMT2AMAPK1ALDH1A1FNTA
SCHEMBL8744746 0.87 MAPK1 (0.40) MEN1KMT2AMAPK1ALDH1A1FNTA
SCHEMBL8744792 0.85 USP2 (0.50) MEN1KMT2AMAPK1USP2
SCHEMBL9593906 0.85 USP2 (0.50) MEN1KMT2AMAPK1USP2
SCHEMBL2324412 0.81 NPSR1 (0.59) MAPK1ALDH1A1NPSR1FNTAFNTB
SCHEMBL8744787 0.78 LMNA (0.58) MAPK1ALDH1A1NPSR1FNTAFNTB
SCHEMBL8744796 0.78 LMNA (0.58) MAPK1ALDH1A1NPSR1FNTAFNTB
SCHEMBL8744819 0.78 MAPK1 (0.56) MEN1KMT2AMAPK1ALDH1A1
SCHEMBL8744827 0.78 MAPK1 (0.56) MEN1KMT2AMAPK1ALDH1A1

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-0456063-B1 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1997-01-22 EP disclosed
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 EP disclosed