SCHEMBL8556490

SCHEMBL8556490

COc1cc(CCNC(=O)Cc2cccnc2)cc(O)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.56
ERCC4 Q92889 1/20 0.56
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
GAA P10253 1/20 0.48
KCNK3 O14649 1/20 0.48
KCNH2 Q12809 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TAAR1 Q96RJ0 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
SCHEMBL8559166 0.84 LMNA (0.67) LMNAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL8553751 0.83 CA1 (0.65) LMNAKMT2AMEN1ALDH1A1POLB
SCHEMBL8558009 0.82 CA1 (0.69) LMNAKMT2AMEN1POLBCA1
SCHEMBL8556404 0.81 MEN1 (0.69) ERCC1ERCC4LMNAKMT2AMEN1
SCHEMBL8558286 0.80 LMNA (0.59) LMNAKMT2AMEN1CA1CA2
SCHEMBL8558635 0.80 TAAR1 (0.70) LMNAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL8558637 0.80 LMNA (0.58) ERCC1ERCC4LMNAKMT2AMEN1
SCHEMBL8554068 0.79 LMNA (0.53) LMNAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL28000837 0.79 KMT2A (0.64) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8558499 0.78 TAAR1 (0.57) LMNAKMT2AMEN1ALDH1A1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617022-B1 6,7, dialkoxy-3,4-dihydroisoquinolin-8-ol, process for preparation thereof and process for preparation of 6,7-dialkoxy-1,2,3,4-tetrahydroisoquinolin-8-ol using the compound BANYU PHARMA CO LTD (JP) 1998-02-11 EP disclosed
US-5498717-A CHEMICAL INTERMEDIATES FOR PRODUCING ANTITUMOR POTENTIATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-12 US disclosed
US-5446164-A Regioselective cyclization of phenethylamide derivative in presence of phosphoric acid halide, reducing formed compound BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-29 US disclosed
EP-0617022-A1 6,7, dialkoxy-3,4-dihydroisoquinolin-8-ol, process for preparation thereof and process for preparation of 6,7-dialkoxy-1,2,3,4-tetrahydroisoquinolin-8-ol using the compound BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-09-28 EP disclosed