SCHEMBL10366512

SCHEMBL10366512

CCOC(=O)/C(=C/NC1CC1F)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DHODH Q02127 3/20 0.34
GAA P10253 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 1/20 0.33
STAT1 P42224 1/20 0.32
CYP3A4 P08684 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
SCHEMBL10366514 1.00 NPSR1 (0.35) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL13483655 0.92 NPSR1 (0.34) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9096545 0.90 MAPT (0.33) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9096558 0.90 MAPT (0.33) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL13483594 0.90 MAPT (0.35) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9096550 0.90 MAPT (0.33) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9096298 0.89 MAPT (0.34) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9096299 0.89 MAPT (0.34) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL12427261 0.89 MAPT (0.34) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL13744334 0.89 MAPT (0.34) NPSR1MAPTMEN1KMT2ALMNA

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-0191185-B1 QUINOLINE-CARBOXYLIC ACID DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1990-03-07 EP disclosed
EP-0191185-A1 Quinoline-carboxylic acid derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1986-08-20 EP disclosed