SCHEMBL20525317

SCHEMBL20525317

NC(=O)c1ccc(Cn2ccc3cc(C4CCN(Cc5cncnc5)CC4)cnc32)cc1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.39
CCR5 P51681 4/20 0.35
GLO1 Q04760 1/20 0.34
SYK P43405 1/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR4 P22455 1/20 0.33
ABCB1 P08183 1/20 0.32
STAT3 P40763 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
SCHEMBL20525358 0.92 EGLN1 (0.42) EGLN1CCR5SYKCNR1CNR2
SCHEMBL20525414 0.91 PARP1 (0.42) EGLN1CCR5
SCHEMBL20525400 0.89 PARP1 (0.41) EGLN1CCR5CNR1CNR2
SCHEMBL20525454 0.89 SYK (0.42) EGLN1SYKFGFR1FGFR4
SCHEMBL20525469 0.88 PIK3CA (0.42) EGLN1
SCHEMBL20525424 0.88 EGLN1 (0.38) EGLN1CCR5GLO1SYKTLR9
SCHEMBL20525438 0.88 DRD2 (0.42) EGLN1CCR5SYK
SCHEMBL20525339 0.87 PARP1 (0.41) EGLN1GLO1
SCHEMBL20525460 0.87 PARP1 (0.41) EGLN1GLO1SYK
SCHEMBL20525322 0.86 EGLN1 (0.35) EGLN1CCR5GLO1SYKTLR9

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-3080125-B1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-10-10 EP disclosed