SCHEMBL6004162

SCHEMBL6004162

Cc1ccc(Oc2ccnc3ccc(OCCCl)cc23)c(-c2ncccn2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
DDR2 Q16832 1/20 0.34
AXL P30530 2/20 0.34
TGFBR1 P36897 4/20 0.33
SYK P43405 2/20 0.33
AURKB Q96GD4 2/20 0.33
INCENP Q9NQS7 1/20 0.33
AURKA O14965 1/20 0.33
LCK P06239 1/20 0.33
LYN P07948 1/20 0.33
MET P08581 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
SRC P12931 2/20 0.32

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
SCHEMBL6004262 0.96 ALDH1A1 (0.36) ALDH1A1CASP1CASP7HSD17B10PDGFRB
SCHEMBL6004922 0.90 SLC22A12 (0.39) ALDH1A1CASP1CASP7HSD17B10PDGFRB
SCHEMBL6005251 0.89 PDE2A (0.39) ALDH1A1CASP1CASP7HSD17B10PDGFRB
SCHEMBL6004333 0.86 PDGFRA (0.42) PDGFRBPDGFRAAXLTGFBR1
SCHEMBL6005366 0.85 PDGFRB (0.36) PDGFRBPDGFRADDR2AXLTGFBR1
SCHEMBL6004251 0.85 TGFBR1 (0.39) ALDH1A1CASP1CASP7HSD17B10PDGFRB
SCHEMBL6004285 0.84 CYP3A4 (0.46) ALDH1A1HSD17B10SYKAURKBINCENP
SCHEMBL6004932 0.84 IRAK4 (0.39)
SCHEMBL6004343 0.83 SIGMAR1 (0.36) ALDH1A1CASP1CASP7HSD17B10PDGFRB
SCHEMBL6005281 0.83 DDR2 (0.34) PDGFRBPDGFRADDR2AXLTGFBR1

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