SCHEMBL17067366

SCHEMBL17067366

CC(N)c1cccc(OCC(=O)OC(C)(C)CN=[N+]=[N-])c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
OPRK1 P41145 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
GAA P10253 2/20 0.33
CFD P00746 1/20 0.33
F11 P03951 1/20 0.33
TPSB2 P20231 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7643200 0.81 OPRK1 (0.46) KMT2AMEN1OPRK1POLBSMN1; SMN2
SCHEMBL17067423 0.80 PKM (0.37) KMT2AMEN1POLBTDP1GAA
SCHEMBL15131216 0.75 KDM4E (0.38) KMT2ASMN1; SMN2CFDF11TPSB2
SCHEMBL17067369 0.75 HDAC8 (0.41) SMN1; SMN2TDP1GAAL3MBTL1LMNA
SCHEMBL17067363 0.72 RAB9A (0.34) KMT2AMEN1SMN1; SMN2TDP1GAA
SCHEMBL12305553 0.71 LMNA (0.49) KMT2AMEN1OPRK1POLBSMN1; SMN2
SCHEMBL24675205 0.71 KDM4E (0.41) SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL15107044 0.71 HDAC8 (0.44) OPRK1POLBTDP1GAALMNA
SCHEMBL12710451 0.70 DUT (0.42) KMT2ASMN1; SMN2CFDF11TPSB2
SCHEMBL12810290 0.70 DUT (0.42) KMT2ASMN1; SMN2CFDF11TPSB2

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
EP-2149561-B1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC (US) 2015-09-09 EP disclosed