SCHEMBL7115272

SCHEMBL7115272

[2H]C(c1ccc(N(CC)CC)cc1C)(c1ccc(N(CC)CC)cc1C)c1ccc(N(CC)CC)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.55
ALDH1A1 P00352 8/20 0.43
CYP3A4 P08684 3/20 0.43
TERT O14746 1/20 0.43
MAPK1 P28482 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 2/20 0.41
IGLV6-57 P01721 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
HIF1A Q16665 1/20 0.41
GFER P55789 4/20 0.39
PSMD14 O00487 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 6/20 0.39

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
SCHEMBL655462 0.90 S100B (0.49) S100BALDH1A1CYP3A4TERTMAPK1
SCHEMBL657812 0.90 S100B (0.49) S100BALDH1A1CYP3A4TERTMAPK1
SCHEMBL6271329 0.85 S100B (0.58) S100BALDH1A1CYP3A4TERTMAPK1
SCHEMBL81551 0.85 S100B (0.58) S100BALDH1A1CYP3A4TERTMAPK1
SCHEMBL12781700 0.83 S100B (0.56) S100BALDH1A1CYP3A4TERTMAPK1
SCHEMBL8074081 0.83 S100B (0.56) S100BALDH1A1CYP3A4TERTMAPK1
Hydrochloric Acid SCHEMBL237984 0.83 S100B (0.56) S100BALDH1A1CYP3A4TERTMAPK1
SCHEMBL8172446 0.81 S100B (0.55) S100BALDH1A1CYP3A4TERTMAPK1
Hydrochloric Acid SCHEMBL6373886 0.81 S100B (0.55) S100BALDH1A1CYP3A4TERTMAPK1
SCHEMBL9449699 0.80 S100B (0.53) S100BALDH1A1CYP3A4TERTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828182-B1 Storage-stable photoimageable compositions with improved leuco dye DU PONT (US) 2003-11-19 EP claimed
US-5744280-A MONOCHROME IMAGES;IMPROVED CONTRAST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-28 US claimed
EP-0828182-B1 Storage-stable photoimageable compositions with improved leuco dye DU PONT (US) 2003-11-19 EP disclosed
EP-0828182-A1 Storage-stable photoimageable compositions with improved leuco dye E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-11 EP disclosed