SCHEMBL4047461

SCHEMBL4047461

CCN(C)C(=[Se])c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
ATM Q13315 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3126210 0.80 ALDH1A1 (0.50) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL5370648 0.77 ALDH1A1 (0.52) ALDH1A1HPGDMAPTHSP90AA1KMT2A
SCHEMBL20414335 0.74 ALDH1A1 (0.40) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL1003249 0.74 ALDH1A1 (0.58) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL14344844 0.74 ALDH1A1 (0.40) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL313322 0.73 MAPT (0.43) ALDH1A1HPGDMAPTHSP90AA1KMT2A
SCHEMBL11671625 0.71 ATM (0.41) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL14344759 0.71 ATM (0.41) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL11350774 0.71 ATM (0.41) ALDH1A1HPGDMAPTPGRADRA2A
SCHEMBL8421057 0.70 MAPT (0.45) ALDH1A1MAPTATMHSP90AA1KMT2A

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
JP-2009102243-A ACTIVE OXYGEN SCAVENGER IN LIVING CELL CHARACTERIZED BY CONTAINING SELENOAMIDE AND ITS USE GUNMA PREFECTURE 2009-05-14 JP disclosed