SCHEMBL15958451

SCHEMBL15958451

CCCN1CCN(c2cc(Nc3ccc(COC)cc3)c3c4c(onc24)-c2ccccc2C3=O)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 13/20 0.68
NTRK1 P04629 1/20 0.54
MAPT P10636 4/20 0.53
MEN1 O00255 1/20 0.53
APP P05067 1/20 0.53
THRB P10828 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
SNCA P37840 1/20 0.53
BRCA1 P38398 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PLAU P00749 1/20 0.53
PLAUR Q03405 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
SCHEMBL13284991 0.88 EHMT2 (0.67) EHMT2NTRK1MAPTMEN1APP
SCHEMBL2483882 0.88 EHMT2 (0.71) EHMT2NTRK1MAPTMEN1APP
SCHEMBL2483448 0.84 EHMT2 (0.61) EHMT2NTRK1MAPTMEN1APP
SCHEMBL13285003 0.78 EHMT2 (0.73) EHMT2NTRK1MAPTMEN1APP
SCHEMBL13284988 0.78 EHMT2 (0.68) EHMT2MAPTMEN1APPTHRB
SCHEMBL17874500 0.77 PLAU (0.81) EHMT2NTRK1MAPTPLAUPLAUR
SCHEMBL13284990 0.76 EHMT2 (0.67) EHMT2NTRK1MAPTMEN1APP
SCHEMBL15077931 0.74 EHMT2 (0.64) EHMT2NTRK1MAPTPLAUPLAUR
SCHEMBL16978027 0.74 NTRK1 (0.81) EHMT2NTRK1MAPTTHRBPLAU
SCHEMBL13285004 0.74 NTRK1 (0.62) EHMT2NTRK1MAPTMEN1APP

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
US-8809530-B1 Compositions of protein receptor tyrosine kinase inhibitors VM PHARMA LLC (US) 2014-08-19 US disclosed
US-8809530-B1 Compositions of protein receptor tyrosine kinase inhibitors VM PHARMA LLC (US) 2014-08-19 US disclosed