SCHEMBL17851012

SCHEMBL17851012

N=Cc1cccc(N2c3ccccc3N(c3cccc(C=N)c3)c3ccccc32)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.33
FAAH O00519 2/20 0.33
FGFR1 P11362 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
NR1H3 Q13133 1/20 0.31
TLR9 Q9NR96 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL17851121 0.77 TLR9 (0.34) MGLLALDH1A1NR1H3TLR9
SCHEMBL17951555 0.73 MGLL (0.46) MGLLFAAHALDH1A1HSP90AA1PKM
SCHEMBL16243426 0.72 NFE2L2 (0.38) ALDH1A1PKMNPC1RAB9A
SCHEMBL17851114 0.71 NR1H3 (0.33) NR1H3
SCHEMBL17006280 0.69 MGLL (0.55) MGLLALDH1A1ATM
SCHEMBL30060869 0.67 ALDH1A1 (0.50) MGLLFAAHALDH1A1ATMTLR9
SCHEMBL1573901 0.67 ALDH1A1 (0.50) MGLLFAAHALDH1A1ATMTLR9
SCHEMBL22068219 0.67 ALDH1A1 (0.50) MGLLFAAHALDH1A1ATMTLR9
SCHEMBL4796249 0.67
SCHEMBL65365 0.66 ALDH1A1 (0.45) MGLLFAAHALDH1A1HSP90AA1PKM

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-3035401-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Kyushu University, National University Corporation (JP) 2016-06-22 EP disclosed