SCHEMBL18159312

SCHEMBL18159312

CCCCCCCCCCCCOc1cc(/C=C/c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)c(C)cc1/C=C/c1ccc(N(c2ccccc2)c2cccc(C)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
GPX4 P36969 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
APP P05067 1/20 0.34
TLR8 Q9NR97 2/20 0.34
S1PR5 Q9H228 2/20 0.34
KDM4A O75164 4/20 0.33
KDM2A Q9Y2K7 4/20 0.33
CHRNA7 P36544 3/20 0.33
CHRNA10 Q9GZZ6 3/20 0.33
CHRNA9 Q9UGM1 3/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
ATG4B Q9Y4P1 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
SCHEMBL9909809 0.84 TRPA1 (0.40) MAOAMAOBAHR
SCHEMBL13686124 0.84 ALDH1A1 (0.30) ALDH1A1GAAMAPTTHRBNPSR1
SCHEMBL12633369 0.83 APP (0.45) ALDH1A1APPCTDSP1MAOAMAOB
SCHEMBL7717396 0.82 CHRNA7 (0.38) CHRNA7CHRNA10CHRNA9MAOAMAOB
SCHEMBL9909806 0.80 AHR (0.49) ALDH1A1MAPTCHRNA7CHRNA10CHRNA9
SCHEMBL13805762 0.80 NFE2L2 (0.40) CHRNA7CHRNA10CHRNA9MAOAMAOB
SCHEMBL13309559 0.80 CHRNA7 (0.48) ALDH1A1MAPTTP53TLR8CHRNA7
SCHEMBL4415826 0.79 CYP1A1 (0.46) MAPTAPP
SCHEMBL9915628 0.79 CYP1A1 (0.46) MAPTAPP
SCHEMBL10153553 0.78 ESR1 (0.38) ALDH1A1GAAMAPTTHRBNPSR1

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-20160306277-A1 LIQUID PHOTOREACTIVE COMPOSITION AND METHOD OF FABRICATING STRUCTURES 3M INNOVATIVE PROPERTIES COMPANY 2016-10-20 US disclosed