SCHEMBL2824314

SCHEMBL2824314

Cc1nc2c(N3CC(O)C3)cccc2c(-c2ccc(F)cc2)c1C(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.35
DHODH Q02127 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
TACR1 P25103 2/20 0.31
P2RX7 Q99572 3/20 0.31
SCN9A Q15858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2824392 0.93 RAF1 (0.37) ENPP1RAF1BRAFHCRTR1HCRTR2
SCHEMBL2823196 0.92 GAA (0.40) ENPP1KDM4EMEN1KMT2AHPGD
SCHEMBL2821184 0.88 SMN1; SMN2 (0.37) ENPP1DHODHKDM4EMEN1HTT
SCHEMBL2822062 0.87 KDM4E (0.38) ENPP1DHODHKDM4EHTTHPGD
SCHEMBL2825467 0.87 KDM4E (0.38) ENPP1DHODHKDM4EHTTHPGD
SCHEMBL2824985 0.85 HPGD (0.42) MEN1KMT2AHPGDRAF1BRAF
SCHEMBL2821290 0.85 DGAT1 (0.38) MEN1KMT2ARAF1BRAFMAPT
SCHEMBL2825330 0.85 KDM4E (0.41) KDM4EHPGDALDH1A1
SCHEMBL2828013 0.81 ALDH1A1 (0.36) DHODHMAPTALDH1A1
SCHEMBL2824028 0.80 FABP3 (0.43) KDM4EMEN1KMT2AHPGDMAPT

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
EP-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed