SCHEMBL496626

SCHEMBL496626

COc1ccc(-c2nnc3c4ccccc4c(Nc4cccc(NS(=O)(=O)c5ccc(N6CCOCC6)nc5)c4)nn23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 5/20 0.44
BRD4 O60885 2/20 0.44
CREBBP Q92793 2/20 0.44
CECR2 Q9BXF3 2/20 0.44
BRD9 Q9H8M2 2/20 0.44
LMNA P02545 5/20 0.43
TP53 P04637 4/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MLNR O43193 1/20 0.42
DGAT1 O75907 1/20 0.42
PDE2A O00408 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL496867 0.86 CYP19A1 (0.53) KDM4EMAPTBRD4CREBBPCECR2
SCHEMBL496550 0.84 MAPT (0.50) MAPTLMNATP53PDE2ANPSR1
SCHEMBL496763 0.84 MAPT (0.50) KDM4EMAPTBRD4CREBBPCECR2
SCHEMBL496857 0.82 MAPT (0.50) GAAMAPTBRD4CREBBPCECR2
SCHEMBL496862 0.81 MAPT (0.54) GAAKDM4EMAPTLMNATP53
SCHEMBL497326 0.80 TCF4 (0.47) GAAKDM4EMAPTBRD4CREBBP
SCHEMBL496819 0.80 MAPT (0.51) KDM4EMAPTBRD4CREBBPCECR2
SCHEMBL497337 0.79 MAPT (0.54) MAPTLMNATP53NPSR1NPC1
SCHEMBL496668 0.79 MAPT (0.59) KDM4EMAPTLMNATP53PDE2A
SCHEMBL496667 0.79 MAPT (0.46) MAPTLMNATP53NPSR1NPC1

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