SCHEMBL6004262

SCHEMBL6004262

Cc1ccc(Oc2ccnc3ccc(OCCCCl)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
AXL P30530 1/20 0.35
DDR2 Q16832 1/20 0.34
SYK P43405 2/20 0.33
AURKA O14965 2/20 0.33
LCK P06239 2/20 0.33
KDR P35968 2/20 0.33
TEK Q02763 2/20 0.33
AURKB Q96GD4 2/20 0.33
INCENP Q9NQS7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6004162 0.96 ALDH1A1 (0.36) ALDH1A1CASP1CASP7HSD17B10PDGFRB
SCHEMBL6005251 0.91 PDE2A (0.39) ALDH1A1CASP1CASP7HSD17B10PDGFRB
SCHEMBL6004922 0.90 SLC22A12 (0.39) ALDH1A1CASP1CASP7HSD17B10PDGFRB
SCHEMBL6005366 0.85 PDGFRB (0.36) PDGFRBPDGFRAAXLDDR2SYK
SCHEMBL6004251 0.85 TGFBR1 (0.39) ALDH1A1CASP1CASP7HSD17B10PDGFRB
SCHEMBL6004343 0.85 SIGMAR1 (0.36) ALDH1A1CASP1CASP7HSD17B10PDGFRB
SCHEMBL6004285 0.84 CYP3A4 (0.46) ALDH1A1HSD17B10SYKAURKBINCENP
SCHEMBL6004333 0.84 PDGFRA (0.42) PDGFRBPDGFRAAXLTGFBR1
SCHEMBL6005281 0.83 DDR2 (0.34) PDGFRBPDGFRAAXLDDR2AURKA
SCHEMBL6002950 0.82 MET (0.44) ALDH1A1AXLKDM4EMETTGFBR1

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