SCHEMBL496493

SCHEMBL496493

COc1ccc(Cc2nnc3c4ccccc4c(-c4c(N)cccc4-c4nn[nH]n4)nn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
HSP90AB1 P08238 1/20 0.42
GPR35 Q9HC97 1/20 0.41
MET P08581 1/20 0.39
IDO1 P14902 1/20 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
SCHEMBL496780 0.86 MAPT (0.60) MAPTTP53GPR35
SCHEMBL496743 0.74 KDR (0.48) MET
SCHEMBL496673 0.71 MAPT (0.61) MAPTTP53
SCHEMBL496688 0.70 HSP90AB1 (0.52) MAPTTP53HSP90AB1MET
SCHEMBL497262 0.68 KDR (0.53) HSP90AB1MET
SCHEMBL8171724 0.62 XDH (0.69) GPR35
SCHEMBL496935 0.61 KDR (0.52) HSP90AB1
SCHEMBL496898 0.61 MAPT (0.55) MAPTTP53GPR35
SCHEMBL5616597 0.61 XDH (0.58) MAPTTP53GPR35
SCHEMBL496572 0.61 MAPT (0.52) MAPTTP53

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
US-8106047-B2 (4-Methoxyphenyl)-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-amine; phosphodiesterase inhibitors; septic shock or vascular edema; neoangiogenesis or inflammatory disease NYCOMED GMBH (DE) 2012-01-31 US claimed