SCHEMBL496574

SCHEMBL496574

COc1ccc(-c2nnc3c4ccccc4c(Nc4ccc(NS(=O)(=O)N5CCOCC5)cc4)nn23)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
TP53 P04637 4/20 0.54
PDE2A O00408 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PIM1 P11309 1/20 0.43
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43

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
SCHEMBL496550 0.93 MAPT (0.50) MAPTTP53PDE2ANPSR1NPC1
SCHEMBL496668 0.91 MAPT (0.59) MAPTTP53PDE2ANPSR1NPC1
SCHEMBL2026309 0.86 PDE2A (0.66) MAPTTP53PDE2ANPSR1NPC1
SCHEMBL496642 0.85 MAPT (0.57) MAPTTP53NPSR1NPC1LMNA
SCHEMBL496862 0.84 MAPT (0.54) MAPTTP53PDE2ANPSR1NPC1
SCHEMBL2024771 0.83 MAPT (0.69) MAPTTP53NPSR1NPC1LMNA
SCHEMBL2828751 0.83 HPGD (0.58) MAPTTP53PDE2ANPSR1NPC1
SCHEMBL2030793 0.82 MAPT (0.67) MAPTTP53NPSR1NPC1LMNA
SCHEMBL2826599 0.81 MAPK1 (0.60) MAPTPDE2ANPSR1NPC1LMNA
SCHEMBL496124 0.81 MAPT (0.53) MAPTTP53NPSR1NPC1LMNA

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