SCHEMBL13844150

SCHEMBL13844150

COc1ccc2c(C(=O)c3ccc(OCCO)nc3)n[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 5/20 0.42
PRKAA1 Q13131 5/20 0.42
PRKAB1 Q9Y478 5/20 0.42
PRKAB2 O43741 4/20 0.42
PRKAA2 P54646 4/20 0.42
PRKAG3 Q9UGI9 4/20 0.42
PRKAG2 Q9UGJ0 4/20 0.42
PRKACA P17612 2/20 0.40
PRKACG P22612 2/20 0.40
PRKACB P22694 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TUBB1 Q9H4B7 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL13844100 0.95 PRKAG1 (0.39) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL13844093 0.84 PRKAG1 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL13844083 0.84 DYRK1A (0.43) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL10073860 0.82 PRKAG1 (0.44) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL13794487 0.81 L3MBTL1 (0.47) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL13936217 0.80 PRKAG1 (0.39) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL13901145 0.80 BCHE (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL10073867 0.79 SMN1; SMN2 (0.45) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL10073863 0.76 CYP1A2 (0.50) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL14387458 0.75 TUBB1 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 US disclosed
US-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 US disclosed