SCHEMBL7058855

SCHEMBL7058855

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.45
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.38
ABL1 P00519 1/20 0.38
GPR6 P46095 7/20 0.37
MET P08581 1/20 0.36
AXL P30530 1/20 0.36
IKBKB O14920 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL7059443 0.92 PDE7A (0.45) PDE7AALDH1A1MEN1KMT2AMAPT
SCHEMBL7053550 0.91 GAA (0.44) PDE7AALDH1A1MEN1KMT2AMAPT
SCHEMBL7057594 0.90 ALDH1A1 (0.39) PDE7AALDH1A1MEN1KMT2AMAPT
SCHEMBL7060964 0.89 ALDH1A1 (0.44) PDE7AALDH1A1MEN1KMT2AMAPT
SCHEMBL7055814 0.87 ALDH1A1 (0.42) PDE7AALDH1A1MEN1KMT2AMAPT
SCHEMBL6052240 0.86 NPC1 (0.49) PDE7AALDH1A1MEN1KMT2AMAPT
SCHEMBL7055974 0.85 DRD2 (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7058704 0.84 MAPT (0.39) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7058465 0.82 ALDH1A1 (0.43) PDE7AALDH1A1MEN1KMT2AMAPT
SCHEMBL7050099 0.82 ALDH1A1 (0.41) PDE7AALDH1A1MEN1KMT2AMAPT

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