SCHEMBL3433158

SCHEMBL3433158

Cc1cn(-c2ccc(Nc3nc(C)cn3-c3ccc([N+](=O)[O-])cc3F)cc2F)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 0.45
PSEN2 P49810 15/20 0.45
APH1B Q8WW43 15/20 0.45
NCSTN Q92542 15/20 0.45
APH1A Q96BI3 15/20 0.45
PSENEN Q9NZ42 15/20 0.45
TLR2 O60603 2/20 0.37
TLR1 Q15399 2/20 0.37
S1PR4 O95977 1/20 0.37
KCNH2 Q12809 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1617550 0.83 ALDH1A1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3433157 0.77 ALDH1A1 (0.41) TLR2TLR1S1PR4
SCHEMBL23292585 0.76 TLR2 (0.49) TLR2TLR1S1PR4
SCHEMBL961555 0.74 ALDH1A1 (0.47) S1PR4
SCHEMBL10189854 0.74 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616767 0.71 ALDH1A1 (0.49) TLR2TLR1CYP2D6CYP2C9CYP2C19
SCHEMBL8475128 0.70 ALDH1A1 (0.50) TLR2TLR1
Nitric Acid SCHEMBL1617375 0.69 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Nitric Acid SCHEMBL1617372 0.69 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Nitric Acid SCHEMBL1617470 0.69 PSEN1 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed