SCHEMBL496653

SCHEMBL496653

COc1ccc(-c2nnc3c4ccccc4c(Nc4cccc(NS(=O)(=O)c5cccs5)c4)nn23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TNF P01375 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
LRRK2 Q5S007 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 2/20 0.46
HPGD P15428 1/20 0.43
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42

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
SCHEMBL496602 0.93 MAPT (0.55) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL496867 0.88 CYP19A1 (0.53) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL497337 0.86 MAPT (0.54) MAPTSMN1; SMN2LMNALRRK2NPC1
SCHEMBL496857 0.86 MAPT (0.50) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL496763 0.86 MAPT (0.50) MAPTSMN1; SMN2KDM4EHTTLMNA
SCHEMBL496667 0.82 MAPT (0.46) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL497326 0.82 TCF4 (0.47) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL496704 0.82 GABRA1 (0.52) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL496819 0.82 MAPT (0.51) MAPTSMN1; SMN2KDM4EHTTLMNA
SCHEMBL2028746 0.81 MAPT (0.62) MAPTSMN1; SMN2LMNANPC1RAB9A

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