SCHEMBL6004932

SCHEMBL6004932

Cc1ccc(Oc2ccnc3ccc(OCC4CCC4)cc23)c(-c2ncccn2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PARP15 Q460N3 4/20 0.37
PARP10 Q53GL7 4/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
FLT3 P36888 2/20 0.35
PDE2A O00408 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4D Q08499 1/20 0.34
NOS2 P35228 1/20 0.34
PPARG P37231 1/20 0.34
KIT P10721 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
SCHEMBL6004333 0.88 PDGFRA (0.42) FLT3KIT
SCHEMBL6004162 0.84 ALDH1A1 (0.36)
SCHEMBL6004922 0.82 SLC22A12 (0.39) MAOAPDE2A
SCHEMBL6004262 0.82 ALDH1A1 (0.36)
SCHEMBL6005366 0.82 PDGFRB (0.36)
SCHEMBL6004285 0.81 CYP3A4 (0.46) MAOA
SCHEMBL6005251 0.81 PDE2A (0.39) PDE2A
SCHEMBL6005281 0.80 DDR2 (0.34)
SCHEMBL6004251 0.78 TGFBR1 (0.39)
SCHEMBL6004825 0.77 SLC6A2 (0.52) MAOAMAOB

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