SCHEMBL3663462

SCHEMBL3663462

COc1cc(Nc2nc3c(s2)CN(Cc2ccccc2)CC3c2ccccc2Cl)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 0.43
PSEN2 P49810 15/20 0.43
APH1B Q8WW43 15/20 0.43
NCSTN Q92542 15/20 0.43
APH1A Q96BI3 15/20 0.43
PSENEN Q9NZ42 15/20 0.43
IMPDH2 P12268 1/20 0.34
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32

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
SCHEMBL1617203 0.83 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3660733 0.83 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616271 0.76 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3664141 0.75 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3636972 0.75 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3657465 0.75 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3634100 0.74 KMT2A (0.40) KDM4EALDH1A1MAPTSMN1; SMN2MKNK1
SCHEMBL3665732 0.72 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4085724 0.72 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3664715 0.72 PSEN1 (0.62) 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-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed