SCHEMBL496550

SCHEMBL496550

COc1ccc(-c2nnc3c4ccccc4c(Nc4cccc(NS(=O)(=O)N5CCOCC5)c4)nn23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
TP53 P04637 3/20 0.50
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE2A O00408 1/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PIM1 P11309 1/20 0.42
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 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
SCHEMBL496574 0.93 MAPT (0.54) MAPTTP53LMNANPSR1NPC1
SCHEMBL496862 0.89 MAPT (0.54) MAPTTP53LMNANPSR1NPC1
SCHEMBL497337 0.85 MAPT (0.54) MAPTTP53LMNANPSR1NPC1
SCHEMBL496668 0.85 MAPT (0.59) MAPTTP53LMNANPSR1NPC1
SCHEMBL496867 0.84 CYP19A1 (0.53) MAPTTP53LMNANPSR1NPC1
SCHEMBL496626 0.84 GAA (0.53) MAPTTP53LMNANPSR1NPC1
SCHEMBL2825195 0.82 RAB9A (0.53) MAPTTP53LMNANPSR1NPC1
SCHEMBL496763 0.82 MAPT (0.50) MAPTTP53LMNANPSR1NPC1
SCHEMBL496857 0.82 MAPT (0.50) MAPTTP53LMNANPSR1NPC1
SCHEMBL496704 0.81 GABRA1 (0.52) MAPTTP53LMNANPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836207-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 EP claimed
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
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 disclosed