SCHEMBL19002885

SCHEMBL19002885

O=C(O)c1cccc(Nc2cc(N3CCN(C(=O)c4ccco4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.75
MEN1 O00255 7/20 0.70
KMT2A Q03164 7/20 0.70
POLB P06746 3/20 0.70
APAF1 O14727 2/20 0.70
USP2 O75604 2/20 0.70
NSD2 O96028 1/20 0.69
FGB P02675 1/20 0.69
PLEC Q15149 1/20 0.69
PLAUR Q03405 6/20 0.67
NTRK1 P04629 1/20 0.59
EHMT2 Q96KQ7 2/20 0.52
GSK3B P49841 2/20 0.52
MAPT P10636 2/20 0.51
THRB P10828 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL12499325 0.86 PLAU (1.00) PLAUPLAURNTRK1EHMT2GSK3B
SCHEMBL30019219 0.86 PLAU (1.00) PLAUPLAURNTRK1EHMT2GSK3B
SCHEMBL19002905 0.83 PLAU (0.79) PLAUMEN1KMT2APOLBAPAF1
SCHEMBL12698763 0.80 PLAUR (1.00) PLAUMEN1KMT2APOLBAPAF1
SCHEMBL12499165 0.78 PLAU (0.84) PLAUPLAURNTRK1EHMT2MAPT
SCHEMBL12498973 0.78 PLAU (0.83) PLAUMEN1KMT2APLAURNTRK1
SCHEMBL17874500 0.76 PLAU (0.81) PLAUPLAURNTRK1EHMT2MAPT
SCHEMBL18484962 0.76 PLAU (0.80) PLAUPLAURNTRK1EHMT2GSK3B
SCHEMBL13284987 0.74 NTRK1 (1.00) PLAUPOLBPLAURNTRK1EHMT2
SCHEMBL13285001 0.74 MEN1 (0.79) MEN1KMT2APOLBAPAF1USP2

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
US-9687491-B1 Compositions and methods of targeting mutant K-Ras NANTBIOSCIENCE, INC. (US) 2017-06-27 US disclosed