SCHEMBL19903978

SCHEMBL19903978

C=COCCN(CC)c1ccc(N)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.62
ALDH1A1 P00352 7/20 0.34
MAPK1 P28482 5/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
CYP3A4 P08684 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
GFER P55789 3/20 0.34
TSHR P16473 2/20 0.34
PSMD14 O00487 1/20 0.34
RECQL P46063 1/20 0.34
IGLV6-57 P01721 2/20 0.33
SKP2 Q13309 1/20 0.33
S1PR1 P21453 3/20 0.32
TERT O14746 1/20 0.31
MAPT P10636 5/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 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
SCHEMBL1537916 0.85 S100B (0.70) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL33702 0.82 S100B (0.85) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL29381855 0.82 S100B (0.85) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL2894187 0.81 S100B (0.68) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL19903974 0.81 S100B (0.55) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL9659187 0.81 S100B (0.62) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL11384718 0.81 S100B (0.62) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL6470585 0.81 S100B (0.62) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL6470613 0.81 S100B (0.62) S100BALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL11649890 0.81 S100B (0.62) S100BALDH1A1MAPK1L3MBTL1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233944-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-09-04 EP disclosed
EP-2393849-B1 COLOURED PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-06-19 EP disclosed
EP-2393851-B1 COLOURED PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-02-28 EP disclosed