SCHEMBL496667

SCHEMBL496667

COc1ccc(-c2nnc3c4ccccc4c(Nc4cccc(NS(=O)(=O)c5cn(C)cn5)c4)nn23)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CG P48736 8/20 0.43
GABRA1 P14867 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRA2 P47869 3/20 0.43
HTR6 P50406 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
SCHEMBL496565 0.93 MAPT (0.48) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL496867 0.87 CYP19A1 (0.53) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL497337 0.85 MAPT (0.54) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL496857 0.84 MAPT (0.50) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL496763 0.84 MAPT (0.50) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL496653 0.82 MAPT (0.50) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL497326 0.81 TCF4 (0.47) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL496704 0.80 GABRA1 (0.52) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL496819 0.80 MAPT (0.51) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL496550 0.80 MAPT (0.50) MAPTNPC1LMNARAB9ASMN1; SMN2

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