SCHEMBL8428896

SCHEMBL8428896

CCc1c(-c2cc(C)cc(C)c2)n(COCc2ccccc2)c(=O)n([Se])c1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPK14 Q16539 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
APP P05067 1/20 0.33
TACR1 P25103 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
STAT1 P42224 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
ATM Q13315 1/20 0.33
GRM5 P41594 1/20 0.33
C5AR1 P21730 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
BRD7 Q9NPI1 1/20 0.32

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
SCHEMBL8430405 0.91 ALDH1A1 (0.41) ALDH1A1MAPK14RAB9ANPC1POLB
SCHEMBL8427094 0.89 ALDH1A1 (0.41) ALDH1A1MAPK14RAB9ANPC1APP
SCHEMBL10069625 0.88 ALDH1A1 (0.41) ALDH1A1MAPK14RAB9ANPC1APP
SCHEMBL8430943 0.83 ALDH1A1 (0.39) ALDH1A1APPTACR1GRM5C5AR1
SCHEMBL8428900 0.81 ALDH1A1 (0.39) ALDH1A1MAPK14RAB9ANPC1MAPT
SCHEMBL8430882 0.81 L3MBTL1 (0.41) ALDH1A1POLBMAPT
SCHEMBL10069613 0.80 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1POLBMAPT
SCHEMBL8426961 0.78 ALDH1A1 (0.39) ALDH1A1MAPK14POLBMAPT
SCHEMBL10069623 0.78 ALDH1A1 (0.42) ALDH1A1MAPK14RAB9ANPC1POLB
SCHEMBL10069632 0.77 ALDH1A1 (0.43) ALDH1A1MAPK14RAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889013-A REACTING AN URACIL COMPOUND WITH N, O-BIS/TRIMETHYLSILYL/ACETAMIDE FOLLOWED BY TETRABUTYLAMMONIUM IODIDE AND CHLOROMETHYL ETHER COMPOUND AND THEN REACTING WITH ARYL SELENOL IN A BASE SUNKYONG INDUSTRIES CO., INC. (KR) 1999-03-30 US claimed
US-5889013-A REACTING AN URACIL COMPOUND WITH N, O-BIS/TRIMETHYLSILYL/ACETAMIDE FOLLOWED BY TETRABUTYLAMMONIUM IODIDE AND CHLOROMETHYL ETHER COMPOUND AND THEN REACTING WITH ARYL SELENOL IN A BASE SUNKYONG INDUSTRIES CO., INC. (KR) 1999-03-30 US disclosed