SCHEMBL7057594

SCHEMBL7057594

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CHRM4 P08173 1/20 0.38
PDE7A Q13946 1/20 0.36
GPR6 P46095 12/20 0.36
AR P10275 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL7054702 0.92 MAPT (0.39) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL7058855 0.90 PDE7A (0.45) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL7053550 0.87 GAA (0.44) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL6052540 0.87 NPC1 (0.46) ALDH1A1MAPTMEN1HPGDKMT2A
Water SCHEMBL6052403 0.87 NPC1 (0.46) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL7055974 0.86 DRD2 (0.42) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL7060964 0.85 ALDH1A1 (0.44) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL7058704 0.85 MAPT (0.39) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL7055814 0.84 ALDH1A1 (0.42) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL7059443 0.82 PDE7A (0.45) ALDH1A1MAPTMEN1HPGDKMT2A

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