SCHEMBL19981027

SCHEMBL19981027

C=C(C)COCCN(CCOC)c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PSMD14 O00487 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESRRG P62508 1/20 0.34
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
BTK Q06187 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PHLPP2 Q6ZVD8 1/20 0.31

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
SCHEMBL994614 0.83 TDP1 (0.54) ALDH1A1CYP3A4MAPK1TDP1PSMD14
SCHEMBL13958424 0.80 TDP1 (0.48) ALDH1A1CYP3A4MAPK1TDP1PSMD14
SCHEMBL7763544 0.80 TDP1 (0.47) ALDH1A1CYP3A4MAPK1TDP1PSMD14
SCHEMBL19980954 0.78 PHLPP2 (0.40) ALDH1A1CYP3A4MAPK1TDP1PSMD14
SCHEMBL16391104 0.77 CYP3A4 (0.52) ALDH1A1CYP3A4MAPK1TDP1PSMD14
SCHEMBL28639880 0.76 TDP1 (0.43) ALDH1A1CYP3A4MAPK1TDP1PSMD14
SCHEMBL10580706 0.75 ALDH1A1 (0.64) ALDH1A1CYP3A4MAPK1TDP1PSMD14
SCHEMBL18562084 0.74 KMT2A (0.37) ALDH1A1CYP3A4MAPK1TDP1PSMD14
SCHEMBL22212934 0.73 PHLPP2 (0.36) ALDH1A1CYP3A4MAPK1TDP1PSMD14
SCHEMBL13972790 0.73 CYP3A4 (0.55) ALDH1A1CYP3A4MAPK1TDP1PSMD14

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-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed