SCHEMBL5419366

SCHEMBL5419366

CCc1nc(-c2n[nH]c3cccc(Cc4ccccc4F)c23)oc1CO

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAP2K4 P45985 3/20 0.31
MAPK1 P28482 2/20 0.31
MAPKAPK2 P49137 1/20 0.31
MAPKAPK3 Q16644 1/20 0.31
MAPK6 Q16659 1/20 0.31
MAP4K1 Q92918 1/20 0.31
HSP90AA1 P07900 1/20 0.30
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
MPO P05164 1/20 0.30

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
SCHEMBL5312666 0.88 MAP4K1 (0.35) ARKDM4EALDH1A1MAP2K4MAPK1
SCHEMBL5314312 0.78 PPARD (0.34) ARMAP2K4MAPK1MAPKAPK2MAPK6
SCHEMBL5313810 0.75 MAP2K4 (0.37) MAP2K4MAPK1MAPKAPK2MAPK6SLC5A1
SCHEMBL8332364 0.75 PDE5A (0.41) ARKDM4EALDH1A1MAP2K4MAPK1
SCHEMBL8470221 0.74 MAP4K1 (0.34) KDM4EALDH1A1MAPK1MAP4K1JAK1
SCHEMBL4426683 0.69 BUB1 (0.43) KDM4EALDH1A1MAPK1
SCHEMBL7810926 0.68 AR (0.39) ARKDM4EALDH1A1MPO
SCHEMBL8327060 0.68 AR (0.35) ARKDM4EALDH1A1MAPK1JAK1
SCHEMBL5314525 0.65 MAPK1 (0.34) MAP2K4MAPK1MAPKAPK2MAPK6SLC5A1
SCHEMBL8327929 0.65 PDE5A (0.37) ARKDM4EALDH1A1MAP2K4MAPK1

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
WO-2007065010-A2 ANTI-ANGIOGENESIS COMPOUNDS HIF BIO, INC. (US) 2007-06-07 WO disclosed