SCHEMBL6004176

SCHEMBL6004176

N#Cc1ccc(-c2nc3ncccc3cc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.41
CYP11B2 P19099 3/20 0.40
MMP3 P08254 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GLO1 Q04760 1/20 0.38
PARP1 P09874 1/20 0.38
CYP11B1 P15538 2/20 0.38
HSD11B1 P28845 1/20 0.38
CYP17A1 P05093 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL1692394 0.82 DHODH (0.44)
SCHEMBL6004749 0.81 CYP1A2 (0.41) TRPV1
SCHEMBL6004302 0.81 KDM4E (0.43) TRPV1
SCHEMBL6004845 0.81 MAPK14 (0.52)
SCHEMBL3892242 0.81 COMT (0.43) TRPV1
SCHEMBL6004768 0.80 KDM4E (0.51)
SCHEMBL2142400 0.77 KDM4E (0.56) SLC22A12CYP11B2MMP3EGLN1TRPV1
SCHEMBL30060806 0.76 KDM4E (0.43) PDE4APDE4CPDE4D
SCHEMBL6004865 0.75 L3MBTL1 (0.54) CYP11B2ABCG2CYP11B1CYP17A1
SCHEMBL9376590 0.72 ADORA2A (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed