SCHEMBL6573363

SCHEMBL6573363

O=C(O)COc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.66
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GPR35 Q9HC97 2/20 0.49
CYP1A2 P05177 1/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
AKR1B1 P15121 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TTR P02766 1/20 0.44
GAA P10253 2/20 0.44
THRB P10828 1/20 0.44
CRHBP P24387 1/20 0.43

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
SCHEMBL31324800 0.88 PTGDR2 (0.62) PTGDR2MEN1KMT2AGPR35CYP1A2
SCHEMBL3480872 0.87 PTGDR2 (0.69) PTGDR2MEN1KMT2ACYP1A2MAPT
SCHEMBL10788762 0.84 MEN1 (0.66) PTGDR2MEN1KMT2AGPR35CYP1A2
SCHEMBL4978919 0.83 PTGDR2 (0.64) PTGDR2MEN1KMT2ACYP1A2MAPT
SCHEMBL27542697 0.83 PTGDR2 (0.64) PTGDR2KMT2ACYP1A2MAPTSMN1; SMN2
SCHEMBL1025344 0.83 PTGDR2 (0.64) PTGDR2MEN1KMT2ACYP1A2MAPT
SCHEMBL3877451 0.83 PTGDR2 (0.64) PTGDR2MEN1KMT2ACYP1A2MAPT
SCHEMBL6921762 0.82 PTGDR2 (0.63) PTGDR2MEN1KMT2ACYP1A2MAPT
SCHEMBL1531280 0.82 PTGDR2 (0.63) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15362097 0.82 PTGDR2 (0.63) PTGDR2MEN1KMT2ACYP1A2MAPT

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