SCHEMBL496903

SCHEMBL496903

COc1ccc(-c2nnc3c4ccccc4c(-c4cc(-c5nnn(C)n5)ccc4N)nn23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
TP53 P04637 3/20 0.59
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 5/20 0.46
GABRG2 P18507 5/20 0.46
GABRB3 P28472 5/20 0.46
GABRA5 P31644 5/20 0.46
GABRA3 P34903 5/20 0.46
GABRA2 P47869 5/20 0.46
RXFP1 Q9HBX9 2/20 0.46
THRB P10828 1/20 0.44
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL496673 0.85 MAPT (0.61) MAPTTP53NPC1LMNARAB9A
SCHEMBL496847 0.77 MAPT (0.53) MAPTTP53NPC1LMNARAB9A
SCHEMBL496884 0.76 MAPT (0.56) MAPTTP53NPC1LMNARAB9A
SCHEMBL2886423 0.75 MAPT (1.00) MAPTTP53NPC1LMNARAB9A
SCHEMBL496780 0.72 MAPT (0.60) MAPTTP53NPC1LMNARAB9A
SCHEMBL10664153 0.69 MAPT (0.76) MAPTTP53NPC1LMNARAB9A
SCHEMBL496814 0.69 MAPT (0.76) MAPTTP53NPC1LMNARAB9A
SCHEMBL5192240 0.68 LTA4H (0.64) MAPTTP53NPC1LMNARAB9A
SCHEMBL10685990 0.68 MAPT (0.72) MAPTTP53NPC1LMNARAB9A
SCHEMBL496638 0.67 MAPT (0.63) 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