SCHEMBL19954699

SCHEMBL19954699

c1ccc(N2c3nccnc3N3c4ccccc4C[C@H]23)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.39
NOTUM Q6P988 4/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PKM P14618 1/20 0.36
CLK1 P49759 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 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
SCHEMBL17751472 1.00 ROCK1 (0.39) ROCK1NOTUMLMNAHTTHSD17B10
SCHEMBL17751474 0.91 ROCK1 (0.37) ROCK1NOTUMLMNAHTTHSD17B10
SCHEMBL17831021 0.88 ROCK1 (0.37) ROCK1NOTUMLMNAHTTHSD17B10
SCHEMBL17751516 0.87 ALDH1A1 (0.39) ROCK1HTTALDH1A1MAPT
SCHEMBL18707388 0.85 ROCK1 (0.36) ROCK1NOTUMLMNAHTTHSD17B10
SCHEMBL18177354 0.84 HTR1A (0.39) ROCK1NOTUMLMNAHTTHSD17B10
SCHEMBL17751488 0.83 ALDH1A1 (0.41) ROCK1NOTUMLMNAHTTHSD17B10
SCHEMBL19230066 0.83 NOTUM (0.36) ROCK1NOTUMLMNAHTTHSD17B10
SCHEMBL17751517 0.82 ROCK1 (0.37) ROCK1NOTUMLMNAHTTHSD17B10
SCHEMBL17751476 0.82 ROCK1 (0.40) ROCK1NOTUMLMNAHTTHSD17B10

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
US-9917263-B2 Transparent electrode, electronic device, and organic electroluminescent element Konica Minolta, Inc. (JP) 2018-03-13 US disclosed