SCHEMBL7060964

SCHEMBL7060964

Cc1c(OC(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
GAA P10253 2/20 0.44
CFTR P13569 2/20 0.40
MAPT P10636 7/20 0.40
HPGD P15428 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GPR6 P46095 1/20 0.38
JAK2 O60674 5/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TBK1 Q9UHD2 3/20 0.37

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
SCHEMBL7055814 0.94 ALDH1A1 (0.42) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL7050099 0.94 ALDH1A1 (0.41) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL7059006 0.93 ALDH1A1 (0.39) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL7054601 0.93 MCHR1 (0.43) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL7054997 0.93 ALDH1A1 (0.40) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL7057946 0.93 ALDH1A1 (0.40) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL7050368 0.92 MAPT (0.42) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL7056261 0.92 MAPT (0.50) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL7057769 0.91 EGFR (0.39) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL7058698 0.90 MAPT (0.42) ALDH1A1MAPTHPGDMEN1KMT2A

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