SCHEMBL12801427

SCHEMBL12801427

Nc1ccc(CNC(=O)N2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.53
TPSAB1 Q15661 4/20 0.51
PRSS1 P07477 3/20 0.49
TPSD1 Q9BZJ3 2/20 0.49
TPSG1 Q9NRR2 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PLAU P00749 1/20 0.48
PREP P48147 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
F2 P00734 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL1668562 0.91 TPSAB1 (0.58) TPSAB1PRSS1TPSD1TPSG1KDM4E
SCHEMBL1668508 0.86 PREP (0.52) TPSAB1PRSS1TPSD1TPSG1KDM4E
SCHEMBL1668952 0.85 SIGMAR1 (0.58) TPSAB1PRSS1TPSD1TPSG1KDM4E
SCHEMBL11263011 0.85 PREP (0.59) PREPNPSR1MEN1KMT2A
SCHEMBL7159251 0.85 PREP (0.59) PREPNPSR1MEN1KMT2A
SCHEMBL1670890 0.85 KDM4E (0.50) TPSAB1PRSS1TPSD1TPSG1KDM4E
SCHEMBL27795955 0.81 PREP (0.56) PREPNPSR1MEN1KMT2A
SCHEMBL29176117 0.81 PLAU (0.68) PPIDTPSAB1PRSS1TPSD1TPSG1
SCHEMBL3183198 0.81 PLAU (0.68) PPIDTPSAB1PRSS1TPSD1TPSG1
SCHEMBL8750837 0.80 PREP (0.60) PREPKMT2A

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-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed