SCHEMBL5210353

SCHEMBL5210353

CNCCN(C)c1ccc(-c2cc(OC)c(OCCOC)c(OC)c2)nc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CASR P41180 2/20 0.34
FGFR1 P11362 2/20 0.32
FGFR2 P21802 2/20 0.32
FGFR4 P22455 2/20 0.32
FGFR3 P22607 2/20 0.32
KDR P35968 2/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
BRAF P15056 1/20 0.32
CYP1A2 P05177 1/20 0.32
BRD4 O60885 1/20 0.32
FYN P06241 1/20 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
SCHEMBL5203389 0.91 HRH3 (0.38) HRH3CASRALDH1A1MAPK1BRAF
SCHEMBL5203692 0.86 TNFRSF1A (0.37) HRH3CASRFGFR1ALDH1A1CYP1A2
SCHEMBL5207725 0.82 ALDH1A1 (0.39) HRH3ALDH1A1BRD4FYN
SCHEMBL5207045 0.82 HRH3 (0.42) HRH3ALDH1A1FYN
SCHEMBL5207852 0.80 FYN (0.43) BRD4FYN
SCHEMBL5205364 0.79 MEN1 (0.41) HRH3FYN
SCHEMBL5203407 0.78 FYN (0.40) BRD4FYN
SCHEMBL5204659 0.78 FYN (0.41) BRD4FYN
SCHEMBL5205586 0.77 HRH3 (0.34) HRH3ALDH1A1MAPK1FYN
SCHEMBL5210597 0.77 HRH3 (0.38) HRH3ALDH1A1FYN

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-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed