SCHEMBL6573349

SCHEMBL6573349

O=C(O)COc1ccc([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.64
CYP19A1 P11511 8/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 2/20 0.60
CYP11B1 P15538 2/20 0.56
CYP11B2 P19099 2/20 0.56
PPIA P62937 1/20 0.51
ELANE P08246 3/20 0.49
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
CRHBP P24387 1/20 0.49
HTT P42858 1/20 0.49
CRHR2 Q13324 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7476491 1.00 PTGDR2 (0.64) PTGDR2CYP19A1MEN1KMT2AMAPT
Bicarbonate SCHEMBL5503301 0.91 CYP19A1 (0.65) PTGDR2CYP19A1MEN1KMT2AMAPT
SCHEMBL371728 0.90 MEN1 (0.70) CYP19A1MEN1KMT2AMAPTCYP11B1
SCHEMBL31418722 0.90 MEN1 (0.70) CYP19A1MEN1KMT2AMAPTCYP11B1
SCHEMBL3480872 0.89 PTGDR2 (0.69) PTGDR2CYP19A1MEN1KMT2AMAPT
SCHEMBL6575840 0.86 CYP19A1 (0.57) PTGDR2CYP19A1MEN1KMT2AMAPT
SCHEMBL6572912 0.84 CYP19A1 (0.62) PTGDR2CYP19A1MEN1KMT2AMAPT
Bicarbonate SCHEMBL5500204 0.83 CYP19A1 (0.63) CYP19A1MEN1KMT2AMAPTCYP11B1
SCHEMBL7156431 0.83 PTGDR2 (0.59) PTGDR2CYP19A1MEN1KMT2AMAPT
SCHEMBL2063456 0.82 MAPT (0.67) CYP19A1MEN1KMT2AMAPTCYP11B1

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-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 EP disclosed