SCHEMBL7053550

SCHEMBL7053550

Cc1c(OC(=O)Nc2ccc(N3CCCCC3)c(C#N)c2)cnn1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 5/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
TP53 P04637 3/20 0.42
USP2 O75604 2/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
CASP1 P29466 1/20 0.41
ALOX15 P16050 2/20 0.41
PDE7A Q13946 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
SCHEMBL7058465 0.91 ALDH1A1 (0.43) GAAHTTALDH1A1HPGDHSD17B10
SCHEMBL7058855 0.91 PDE7A (0.45) GAAALDH1A1HPGDHSD17B10MAPT
SCHEMBL7058704 0.89 MAPT (0.39) GAAHTTALDH1A1HPGDHSD17B10
SCHEMBL7055974 0.87 DRD2 (0.42) GAAALDH1A1HPGDHSD17B10MAPT
SCHEMBL7057594 0.87 ALDH1A1 (0.39) GAAALDH1A1HPGDHSD17B10MAPT
SCHEMBL7055814 0.86 ALDH1A1 (0.42) GAAALDH1A1HPGDHSD17B10MAPT
SCHEMBL7060964 0.86 ALDH1A1 (0.44) GAAALDH1A1HPGDHSD17B10MAPT
SCHEMBL6052338 0.85 NPC1 (0.52) HTTALDH1A1HPGDHSD17B10MAPT
SCHEMBL6052547 0.85 NPC1 (0.52) HTTALDH1A1HPGDHSD17B10MAPT
SCHEMBL6052471 0.84 NPC1 (0.52) ALDH1A1HPGDHSD17B10MAPTMEN1

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-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed