SCHEMBL1379640

SCHEMBL1379640

CC(C(N)=O)C(=O)NCc1cc(F)cc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.45
PSEN2 P49810 5/20 0.45
APH1B Q8WW43 5/20 0.45
NCSTN Q92542 5/20 0.45
APH1A Q96BI3 5/20 0.45
PSENEN Q9NZ42 5/20 0.45
KMT2A Q03164 1/20 0.42
METAP2 P50579 2/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
HPGD P15428 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
GAA P10253 1/20 0.39
ANPEP P15144 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL1562512 0.85 KMT2A (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8310339 0.83 ERCC1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL5967221 0.82 CARM1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5016375 0.80 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23385216 0.77 CYP2C9 (0.50) METAP2EGLN1
SCHEMBL7993179 0.77 KMT2A (0.69) KMT2ATSHR
SCHEMBL5017857 0.76 MAPK1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL5967224 0.75 MAOB (0.55)
SCHEMBL18251695 0.74 ERCC1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5017863 0.74 PDE10A (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4662914-B2 2011-03-30 JP claimed
EP-1592684-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP claimed
WO-2004069826-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO claimed
EP-1592684-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP disclosed
WO-2004069826-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed