SCHEMBL6004922

SCHEMBL6004922

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.39
PDE2A O00408 3/20 0.37
PDE10A Q9Y233 3/20 0.37
MAOA P21397 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DDR2 Q16832 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
SYK P43405 3/20 0.35
AURKB Q96GD4 3/20 0.35
INCENP Q9NQS7 2/20 0.35
SRC P12931 2/20 0.34
TGFBR1 P36897 2/20 0.34
TLR8 Q9NR97 1/20 0.34
AURKA O14965 1/20 0.34
LCK P06239 1/20 0.34
LYN P07948 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
SCHEMBL6005251 0.95 PDE2A (0.39) SLC22A12PDE2APDE10AALDH1A1CASP1
SCHEMBL6004162 0.90 ALDH1A1 (0.36) ALDH1A1CASP1CASP7HSD17B10DDR2
SCHEMBL6004262 0.90 ALDH1A1 (0.36) ALDH1A1CASP1CASP7HSD17B10DDR2
SCHEMBL6005265 0.89 TGFBR1 (0.44) SLC22A12PDE2APDE10AMAOAALDH1A1
SCHEMBL6004343 0.89 SIGMAR1 (0.36) PDE2APDE10AMAOAALDH1A1CASP1
SCHEMBL6004067 0.88 SLC22A12 (0.38) SLC22A12MAOADDR2PDGFRBPDGFRA
SCHEMBL6005281 0.87 DDR2 (0.34) DDR2PDGFRBPDGFRASRCTGFBR1
SCHEMBL6002919 0.87 SLC22A12 (0.38) SLC22A12PDE2APDE10AMAOAALDH1A1
SCHEMBL6004782 0.86 MCL1 (0.33) SLC22A12ALDH1A1CASP1CASP7HSD17B10
SCHEMBL6005366 0.85 PDGFRB (0.36) DDR2PDGFRBPDGFRASYKAURKB

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