SCHEMBL7906245

SCHEMBL7906245

COc1cc(O)cc(-n2cnc(C)c2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 16/20 0.39
PSEN2 P49810 16/20 0.39
APH1B Q8WW43 16/20 0.39
NCSTN Q92542 16/20 0.39
APH1A Q96BI3 16/20 0.39
PSENEN Q9NZ42 16/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3325861 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3322146 0.82 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3330421 0.80 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3330603 0.76 ALOX5 (0.33) MEN1KMT2A
SCHEMBL512865 0.74 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7827197 0.74 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3317315 0.73 PDE3B (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL969485 0.72 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22995882 0.72 PKM (0.44) MEN1KMT2A
SCHEMBL7917720 0.71 TLR2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010054260-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed