SCHEMBL7466539

SCHEMBL7466539

CC(=O)N(c1cccc(CNC(=O)C[C@H](N)C(=O)O)c1)n1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.33
MAPT P10636 2/20 0.33
CXCR3 P49682 1/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 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
SCHEMBL7468693 0.92 MAPT (0.37) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL7462091 0.82 TP53 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8784743 0.80 ALDH3A1 (0.43) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL7460693 0.79 CMA1 (0.40) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL7461905 0.78 CMA1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7472829 0.78 CMA1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7472664 0.75 GAA (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7471528 0.75 CMA1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7468000 0.74 CMA1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7468036 0.74 NOD1 (0.39) 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-0795548-B1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LTD (JP) 2002-07-03 EP disclosed
EP-0795548-A1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LIMITED (JP) 1997-09-17 EP disclosed