SCHEMBL6987458

SCHEMBL6987458

COc1ccccc1-n1nccc1C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.48
MAPK14 Q16539 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
AKR1C3 P42330 1/20 0.41
UGCG Q16739 1/20 0.40
KCNN4 O15554 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.39
SLC2A1 P11166 1/20 0.39
SLC2A2 P11168 1/20 0.39
SLC2A3 P11169 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL18172020 0.82 GAA (0.47) NR3C2MAPK14L3MBTL1NPSR1KMT2A
SCHEMBL8195234 0.80 SMN1; SMN2 (0.43) NR3C2NPSR1KMT2AALDH1A1MEN1
SCHEMBL15442145 0.76 KCNN4 (0.48) NR3C2MAPK14MGLLUGCGKCNN4
SCHEMBL25956786 0.74 NR3C2 (0.50) NR3C2MAPK14L3MBTL1HSD11B1MGLL
SCHEMBL30447578 0.74 NR3C2 (0.50) NR3C2MAPK14L3MBTL1HSD11B1MGLL
SCHEMBL1491079 0.74 POLB (0.50) NR3C2MAPK14MGLLSCN5ASCN9A
SCHEMBL31468347 0.74 POLB (0.50) NR3C2MAPK14MGLLSCN5ASCN9A
SCHEMBL16815703 0.74 KCNN4 (0.47) NR3C2MAPK14HSD11B1MGLLKCNN4
SCHEMBL10242690 0.74 MAPK1 (0.51) ALDH1A1
SCHEMBL16815353 0.71 MAPK14 (0.42) NR3C2MAPK14HSD11B1MGLLUGCG

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
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed