SCHEMBL6004782

SCHEMBL6004782

Cc1ccc(Oc2ccnc3ccc(OCCCN(CCO)c4ccccc4)cc23)c(-c2ncccn2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
SRC P12931 2/20 0.33
TGFBR1 P36897 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PPARG P37231 1/20 0.33
AXL P30530 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACHE P22303 2/20 0.32
PDGFRA P16234 1/20 0.32
KDR P35968 1/20 0.32
EGFR P00533 2/20 0.32
BTK Q06187 2/20 0.32
KCNA5 P22460 1/20 0.32
FGFR2 P21802 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
MET P08581 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL6004343 0.88 SIGMAR1 (0.36) HRH3AXLALDH1A1CASP1CASP7
SCHEMBL6005251 0.87 PDE2A (0.39) SRCTGFBR1AXLALDH1A1CASP1
SCHEMBL6004922 0.86 SLC22A12 (0.39) SRCTGFBR1AXLALDH1A1CASP1
SCHEMBL6004262 0.82 ALDH1A1 (0.36) SRCTGFBR1AXLALDH1A1CASP1
SCHEMBL6004162 0.80 ALDH1A1 (0.36) SRCTGFBR1AXLALDH1A1CASP1
SCHEMBL6004251 0.80 TGFBR1 (0.39) TGFBR1AXLALDH1A1CASP1CASP7
SCHEMBL6004285 0.79 CYP3A4 (0.46) ALDH1A1HSD17B10
SCHEMBL6005281 0.78 DDR2 (0.34) SRCTGFBR1AXLPDGFRAKDR
SCHEMBL6005265 0.78 TGFBR1 (0.44) SRCTGFBR1ALDH1A1CASP1CASP7
SCHEMBL6005366 0.76 PDGFRB (0.36) SRCTGFBR1AXLPDGFRAKDR

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed