SCHEMBL496780

SCHEMBL496780

COc1ccc(-c2nnc3c4ccccc4c(-c4c(N)cccc4-c4nn[nH]n4)nn23)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
TP53 P04637 3/20 0.58
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GABRA1 P14867 4/20 0.46
GABRG2 P18507 4/20 0.46
GABRB3 P28472 4/20 0.46
GABRA5 P31644 4/20 0.46
GABRA3 P34903 4/20 0.46
GABRA2 P47869 4/20 0.46
RXFP1 Q9HBX9 2/20 0.45
THRB P10828 1/20 0.43
GPR35 Q9HC97 1/20 0.43
POLB P06746 1/20 0.41
XDH P47989 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
SCHEMBL496493 0.86 MAPT (0.43) MAPTTP53GPR35
SCHEMBL496673 0.84 MAPT (0.61) MAPTTP53NPC1LMNARAB9A
SCHEMBL496898 0.75 MAPT (0.55) MAPTTP53NPC1LMNARAB9A
SCHEMBL2886423 0.74 MAPT (1.00) MAPTTP53NPC1LMNARAB9A
SCHEMBL496572 0.74 MAPT (0.52) MAPTTP53NPC1LMNARAB9A
SCHEMBL496903 0.72 MAPT (0.61) MAPTTP53NPC1LMNARAB9A
SCHEMBL8171724 0.69 XDH (0.69) GPR35XDH
SCHEMBL10685990 0.69 MAPT (0.72) MAPTTP53NPC1LMNARAB9A
SCHEMBL10664153 0.69 MAPT (0.76) MAPTTP53NPC1LMNARAB9A
SCHEMBL496814 0.69 MAPT (0.76) MAPTTP53NPC1LMNARAB9A

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