SCHEMBL8430882

SCHEMBL8430882

CCc1c(-c2cc(C)cc(C)c2)n(CCCc2ccccc2)c(=O)n([Se])c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ADORA2B P29275 2/20 0.40
GAA P10253 1/20 0.40
G6PD P11413 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CASR P41180 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL8428964 0.83 L3MBTL1 (0.38) L3MBTL1MEN1KMT2AADORA2BGAA
SCHEMBL8428896 0.81 ALDH1A1 (0.42) ALDH1A1POLBMAPT
SCHEMBL8427094 0.73 ALDH1A1 (0.41) GAAALDH1A1POLBMAPT
SCHEMBL10069625 0.69 ALDH1A1 (0.41) ALDH1A1POLBMAPT
SCHEMBL8430885 0.69 MEN1 (0.44) L3MBTL1MEN1KMT2AGAALMNA
SCHEMBL8430943 0.65 ALDH1A1 (0.39) LMNAALDH1A1
SCHEMBL2777323 0.64 POLB (0.52) L3MBTL1MEN1KMT2AADORA2BGAA
SCHEMBL7536996 0.63 MEN1 (0.54) MEN1KMT2AGAALMNAALDH1A1
SCHEMBL4668715 0.62 CACNA1G (0.50) L3MBTL1MEN1KMT2AADORA2BGAA
SCHEMBL7534599 0.62 MEN1 (0.49) MEN1KMT2AGAALMNAALDH1A1

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
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