SCHEMBL8368658

SCHEMBL8368658

CCCN(CCC)CCNC1=CC(=O)c2nc(-c3ccco3)c(-c3ccco3)nc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.44
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
POLB P06746 3/20 0.39
PTPN7 P35236 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 2/20 0.39
BLM P54132 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL8368655 0.86 MALT1 (0.41) S100A4ALDH1A1KDM4EHPGDPOLB
SCHEMBL8370510 0.84 S100A4 (0.46) S100A4ALDH1A1KDM4EHPGDPOLB
SCHEMBL8368881 0.77 S100A4 (0.49) S100A4ALDH1A1KDM4EHPGDPOLB
SCHEMBL8367296 0.76 S100A4 (0.39) S100A4ALDH1A1KDM4EHPGDPOLB
SCHEMBL8370523 0.76 S100A4 (0.51) S100A4ALDH1A1KDM4EHPGDPOLB
SCHEMBL8369468 0.75 MALT1 (0.45) S100A4ALDH1A1KDM4EHPGDPOLB
SCHEMBL8368796 0.75 S100A4 (0.58) S100A4ALDH1A1KDM4EHPGDPOLB
SCHEMBL8368889 0.75 S100A4 (0.54) S100A4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8367269 0.72 MALT1 (0.60) S100A4ALDH1A1KDM4EHPGDPOLB
SCHEMBL8370612 0.71 ACHE (0.40) PIM1

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-1999052365-A1 ANTICANCER AGENTS ELI LILLY AND COMPANY (US) 1999-10-21 WO disclosed