SCHEMBL8006993

SCHEMBL8006993

CCOC(=O)/C(=C/N[C@@H]1C[C@@H]1F)C(=O)c1c(F)cc(F)c(F)c1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
DHODH Q02127 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL8006995 1.00 MAPT (0.34) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL13483655 0.88 NPSR1 (0.34) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL5505218 0.87 POLB (0.37) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL5505216 0.87 POLB (0.37) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL7997970 0.86 NPSR1 (0.34) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL7997968 0.86 NPSR1 (0.34) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL9096745 0.85 CYP2D6 (0.36) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL9096749 0.85 CYP2D6 (0.36) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL9096741 0.85 CYP2D6 (0.36) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL10366514 0.84 NPSR1 (0.35) MAPTMEN1KMT2ALMNANPSR1

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-0593766-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI SEIYAKU CO (JP) 2000-09-06 EP disclosed
EP-0593766-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed