SCHEMBL8554068

SCHEMBL8554068

COc1cc(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)cc(O)c1OC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
PTPN1 P18031 1/20 0.48
PKM P14618 1/20 0.47

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
SCHEMBL8554326 0.90 LMNA (0.58) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8553751 0.85 CA1 (0.65) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8558009 0.82 CA1 (0.69) LMNAMEN1KMT2APOLBCYP1A2
SCHEMBL8559166 0.82 LMNA (0.67) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7226401 0.80 KMT2A (0.50) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6961718 0.80 SMN1; SMN2 (0.68) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8556404 0.79 MEN1 (0.69) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8556490 0.79 ERCC1 (0.56) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8558286 0.78 LMNA (0.59) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8558635 0.78 TAAR1 (0.70) LMNAMEN1KMT2AALDH1A1POLB

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