SCHEMBL8554326

SCHEMBL8554326

COc1cc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(O)c1OC

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
KCNH2 Q12809 1/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL8554068 0.90 LMNA (0.53) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8556404 0.85 MEN1 (0.69) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5899127 0.85 ALDH1A1 (0.74) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8558286 0.84 LMNA (0.59) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8558009 0.84 CA1 (0.69) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8559166 0.84 LMNA (0.67) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8558637 0.80 LMNA (0.58) LMNAALDH1A1MEN1KMT2ACA1
SCHEMBL10570417 0.79 ALDH1A1 (0.78) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8553751 0.78 CA1 (0.65) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8558635 0.78 TAAR1 (0.70) LMNAALDH1A1MEN1KMT2AMAPT

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