SCHEMBL17049339

SCHEMBL17049339

CONC(=O)C(Cc1ccc(NC(C)=O)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
KMT2A Q03164 4/20 0.51
POLB P06746 3/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.49
SCN2A Q99250 1/20 0.48
SDCBP O00560 1/20 0.48
SDC2 P34741 1/20 0.48
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 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
SCHEMBL17049337 1.00 LMNA (0.53) LMNAKMT2APOLBMAPTNPSR1
SCHEMBL17049356 0.87 ALDH1A1 (0.66) KMT2APOLBMAPTNPSR1ALDH1A1
SCHEMBL17049355 0.87 ALDH1A1 (0.66) KMT2APOLBMAPTNPSR1ALDH1A1
SCHEMBL17049289 0.85 ALDH1A1 (0.56) KMT2APOLBMAPTNPSR1ALDH1A1
SCHEMBL17049347 0.77 ALDH1A1 (0.52) KMT2APOLBMAPTNPSR1ALDH1A1
SCHEMBL17049345 0.77 ALDH1A1 (0.52) KMT2APOLBMAPTNPSR1ALDH1A1
SCHEMBL25252329 0.76 L3MBTL1 (0.56) KMT2APOLBALDH1A1MEN1L3MBTL1
SCHEMBL25252331 0.76 L3MBTL1 (0.56) KMT2APOLBALDH1A1MEN1L3MBTL1
SCHEMBL17049327 0.76 ALDH1A1 (0.45) KMT2APOLBALDH1A1MEN1L3MBTL1
SCHEMBL17049330 0.76 ALDH1A1 (0.45) KMT2APOLBALDH1A1MEN1L3MBTL1

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
WO-2015131100-A1 LIGAND-CONTROLLED C(SP3)-H ARYLATION AND OLEFINATION IN SYNTHESIS OF UNNATURAL CHIRAL ALPHA AMINO ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-03 WO disclosed