SCHEMBL12459557

SCHEMBL12459557

C/C(C=O)=C\c1ccc2c(c1)CCc1ccccc1N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.46
NPC1 O15118 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTK2B Q14289 2/20 0.35
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6046496 0.81 NPC1 (0.50) ALDH1A1SIRT2NPC1MAPK13MAPK12
SCHEMBL8168846 0.76 ALOX5 (0.56) ALDH1A1TSHRSIRT2NPC1MAPK13
SCHEMBL8168845 0.76 ALOX5 (0.56) ALDH1A1TSHRSIRT2NPC1MAPK13
SCHEMBL8161649 0.72 SIRT2 (0.49) SIRT2NPC1MAPK13MAPK12MAPK11
SCHEMBL8161645 0.72 SIRT2 (0.49) SIRT2NPC1MAPK13MAPK12MAPK11
SCHEMBL12807460 0.72 MAPT (0.50) ALDH1A1SIRT2NPC1MAPK13MAPK12
SCHEMBL12307261 0.70 SLC6A4 (0.45) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL407439 0.69 NPC1 (0.70) ALDH1A1TSHRSIRT2NPC1MAPK13
SCHEMBL8133079 0.69 MEN1 (0.53) ALDH1A1SIRT2NPC1MAPK13MAPK12
SCHEMBL18741041 0.69 RARB (0.46) ALDH1A1TSHRNPC1KDM4ERAB9A

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-2352201-A1 DYE, PHOTOELECTRIC CONVERSION ELEMENT AND PHOTOELECTROCHEMICAL CELL EACH COMPRISING THE DYE, AND PROCESS FOR PRODUCING DYE FUJIFILM Corporation (JP) 2011-08-03 EP disclosed