SCHEMBL20143393

SCHEMBL20143393

Nc1ccc2c(c1)C(O)(c1ccc(Br)cc1)c1ccccc1C2(O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.41
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
OPRK1 P41145 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHEK1 O14757 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
PRKX P51817 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
SCHEMBL13241717 0.86 PDK2 (0.45) PDK2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL10072781 0.84 ALDH1A1 (0.39) PDK2ALDH1A1ALOX15MAPK1MAPT
SCHEMBL4933663 0.81 CYP2A6 (0.42) PDK2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL11910878 0.80 PDK2 (0.41) PDK2ALDH1A1MAPK1MAPTMEN1
SCHEMBL29948098 0.79 PDK2 (0.45) PDK2ALDH1A1MAPK1MAPTMEN1
SCHEMBL390934 0.79 PDK2 (0.45) PDK2ALDH1A1MAPK1MAPTMEN1
SCHEMBL18422721 0.79 ALDH1A1 (0.48) PDK2ALDH1A1MAPK1MAPTOPRK1
SCHEMBL4585510 0.77 MEN1 (0.46) PDK2ALDH1A1MAPK1MAPTMEN1
SCHEMBL824255 0.77 MEN1 (0.46) PDK2ALDH1A1MAPK1MAPTMEN1
SCHEMBL12791350 0.77 MAPK1 (0.45) PDK2ALDH1A1MAPK1MAPTMEN1

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-9972790-B2 Anthracene derivative, and light-emitting material, light-emitting element, light-emitting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-05-15 US disclosed