SCHEMBL6575924

SCHEMBL6575924

COc1ccc(CC(OS(C)(=O)=O)[N+](=O)[O-])cc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.49
CA2 P00918 4/20 0.44
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
ADRB3 P13945 1/20 0.42
CA1 P00915 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA4 P22748 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CA5A P35218 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MMP1 P03956 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7940348 0.80 LDHA (0.58) LDHACA2ALOX15ALOX12CA1
SCHEMBL7937790 0.80 LDHA (0.58) LDHACA2ALOX15ALOX12CA1
SCHEMBL7937788 0.80 LDHA (0.58) LDHACA2ALOX15ALOX12CA1
SCHEMBL10938132 0.77 LDHA (0.54) LDHACA2ALOX15ALOX12SMN1; SMN2
SCHEMBL6573972 0.77 LDHA (0.58) LDHACA2ALOX15ALOX12SMN1; SMN2
SCHEMBL5659601 0.76 CPA1 (0.41) MMP1
SCHEMBL2340159 0.72 LDHA (0.56) LDHACA2ALOX15ALOX12SMN1; SMN2
SCHEMBL9436128 0.71 CA2 (0.53) LDHACA2POLB
SCHEMBL2335571 0.70 LDHA (0.54) LDHACA2CA1CA9CA12
Methoxymethane SCHEMBL28166090 0.70 CA2 (0.52) LDHACA2POLB

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