SCHEMBL8038420

SCHEMBL8038420

COc1cc([N+](=O)OC)c(-n2cnc(C)c2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.43
PSEN2 P49810 14/20 0.43
APH1B Q8WW43 14/20 0.43
NCSTN Q92542 14/20 0.43
APH1A Q96BI3 14/20 0.43
PSENEN Q9NZ42 14/20 0.43
PKM P14618 2/20 0.42
APP P05067 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
KCNH2 Q12809 1/20 0.37

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
SCHEMBL969485 0.88 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27748164 0.81 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL969008 0.78 NPC1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1237706 0.72 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL512865 0.69 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6127791 0.68 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7738305 0.68 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8028412 0.68 PPOX (0.40) PKM
SCHEMBL12668361 0.66 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616714 0.66 ALDH1A1 (0.47)

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-2009070584-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed