SCHEMBL10278655

SCHEMBL10278655

C=C(C)C(=O)NCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 6/20 0.38
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
CHRM1 P11229 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
BCL3 P20749 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 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
SCHEMBL7105166 0.98 NPSR1 (0.50) NPSR1NPC1ALDH1A1CA12CA1
SCHEMBL15271453 0.83 NPSR1 (0.47) NPSR1ALDH1A1CA12CA1CA2
SCHEMBL3183453 0.83 NPSR1 (0.47) NPSR1ALDH1A1HTTTDP1GAA
SCHEMBL6451721 0.81 NPC1 (0.63) NPSR1NPC1ALDH1A1CA12CA1
SCHEMBL6913902 0.79 NPC1 (0.66) NPSR1NPC1ALDH1A1CA12CA1
SCHEMBL718206 0.79 NPSR1 (0.82) NPSR1NPC1ALDH1A1CA12CA1
SCHEMBL7620687 0.78 NPC1 (0.51) NPC1ALDH1A1GAAKDM4EMAPT
SCHEMBL5423698 0.77 NPSR1 (0.78) NPSR1NPC1ALDH1A1CA12CA1
SCHEMBL9635906 0.77 NPC1 (0.54) NPC1ALDH1A1GAAKDM4E
SCHEMBL8735006 0.73 NPSR1 (0.35) NPSR1ALDH1A1GAAKDM4EMEN1

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-20120165436-A1 PIGMENT DISPERSION CONTAINING AZO PIGMENT AND AQUEOUS INK FOR INKJET RECORDING USING THE SAME FUJIFILM CORPORATION (JP) 2012-06-28 US disclosed