SCHEMBL496565

SCHEMBL496565

COc1ccc(-c2nnc3c4ccccc4c(Nc4ccc(NS(=O)(=O)c5cn(C)cn5)cc4)nn23)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
GABRA1 P14867 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRA2 P47869 3/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CG P48736 7/20 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
SCHEMBL496667 0.93 MAPT (0.46) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL496642 0.84 MAPT (0.57) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL496124 0.84 MAPT (0.53) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL2024771 0.83 MAPT (0.69) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL496817 0.82 MAPT (0.51) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL2030793 0.82 MAPT (0.67) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL496602 0.81 MAPT (0.55) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL496934 0.80 KDM4E (0.51) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL2031525 0.80 MAPT (0.65) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL2027232 0.80 MAPT (0.67) MAPTSMN1; SMN2NPC1LMNARAB9A

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