SCHEMBL7462091

SCHEMBL7462091

CC(=O)N(c1ccc(CNC(=O)[C@@H](N)CC(=O)O)cc1)n1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
CMA1 P23946 1/20 0.33
RORC P51449 1/20 0.33
HTT P42858 1/20 0.32
THRB P10828 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 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 0.90 MAPT (0.37) TP53PSEN1PSEN2APH1BNCSTN
SCHEMBL7461905 0.84 CMA1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7472829 0.83 CMA1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7472664 0.83 GAA (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7466539 0.82 BACE1 (0.35) TP53PSEN1PSEN2APH1BNCSTN
SCHEMBL8784743 0.81 ALDH3A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7471528 0.80 CMA1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7468000 0.80 CMA1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7465884 0.79 AKR1C3 (0.38) MAPTMEN1KMT2ALMNAHTT
SCHEMBL7468094 0.78 CMA1 (0.41) TP53PSEN1PSEN2APH1BNCSTN

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