SCHEMBL9272425

SCHEMBL9272425

CCC(C)CNC(=O)c1cc(C(N)=O)cc(N(CC(C)CC)C(=O)OCc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
BACE1 P56817 1/20 0.36
NNMT P40261 1/20 0.36
NAMPT P43490 2/20 0.35
CTSD P07339 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
BRD4 O60885 1/20 0.34
SYK P43405 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL4582763 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHPGDNAMPTKMT2A
SCHEMBL4582716 0.74 MGLL (0.48)
SCHEMBL20147826 0.70 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2AHSD17B10
SCHEMBL7378563 0.69 SYK (0.57) MAPTKMT2AMEN1SYKHSD17B10
SCHEMBL13350424 0.69 GAA (0.55) ALDH1A1MAPTHPGDNAMPTKDM4E
SCHEMBL19349021 0.68 NAMPT (0.58) ALDH1A1HPGDNAMPTKMT2AGAA
SCHEMBL799425 0.68 NAMPT (0.58) ALDH1A1HPGDNAMPTKMT2AGAA
SCHEMBL9078752 0.66 NNMT (0.42) ALDH1A1HPGDNNMTNAMPTKMT2A
SCHEMBL20147821 0.66 ALDH1A1 (0.44) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL6182061 0.64 CTSS (0.54) CTSLCTSBCTSS

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
WO-1995027705-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO INTERNATIONAL B.V. (NL) 1995-10-19 WO disclosed