SCHEMBL19976908

SCHEMBL19976908

CC(NC(=O)c1ccccc1F)C(=O)Nc1cccc2ncccc12

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
PABPC1 P11940 4/20 0.54
EIF4H Q15056 4/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL19976939 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EPABPC1EIF4HMEN1
SCHEMBL19976933 0.87 PABPC1 (0.73) ALDH1A1KDM4EPABPC1EIF4HMEN1
SCHEMBL19976894 0.84 ALDH1A1 (0.62) ALDH1A1KDM4EPABPC1EIF4HMEN1
SCHEMBL16999703 0.83 KDM4E (0.53) ALDH1A1KDM4EPABPC1EIF4HCYP1A2
SCHEMBL16994059 0.83 KDM4E (0.53) ALDH1A1KDM4EPABPC1EIF4HCYP1A2
SCHEMBL19977029 0.80 KDM4E (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL19977103 0.80 KMT2A (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL19976946 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EPABPC1EIF4HMEN1
SCHEMBL19977086 0.78 XIAP (0.41) ALDH1A1KDM4EPABPC1EIF4HCYP1A2
SCHEMBL19976906 0.78 PGR (0.52) ALDH1A1KDM4EMEN1KMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed