SCHEMBL8430464

SCHEMBL8430464

CCc1c(-c2cccc(C)c2)n(COCCO)c(=S)n([Se])c1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TRPV1 Q8NER1 2/20 0.32
DPP4 P27487 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TYMP P19971 1/20 0.32
TGFBR1 P36897 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 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
SCHEMBL8430920 0.89 ALDH1A1 (0.35) ALDH1A1HTTMAPTKDM4ETYMP
SCHEMBL8427059 0.84 ALDH1A1 (0.36) ALDH1A1TRPV1DPP4HTTTGFBR1
SCHEMBL8428900 0.84 ALDH1A1 (0.39) ALDH1A1HTTMAPTKDM4EGAA
SCHEMBL8426961 0.78 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ETGFBR1HPGD
SCHEMBL8427033 0.78 HTT (0.36) HTTMAPT
SCHEMBL8427094 0.76 ALDH1A1 (0.41) ALDH1A1MAPTGAAPKMHPGD
SCHEMBL7213309 0.75 KDM4E (0.40) ALDH1A1DPP4HTTMAPTKDM4E
SCHEMBL30610974 0.75 KDM4E (0.40) ALDH1A1DPP4HTTMAPTKDM4E
SCHEMBL8428990 0.74 ALDH1A1 (0.34) ALDH1A1HTTMAPTKDM4ETGFBR1
SCHEMBL8428734 0.74 ALDH1A1 (0.39) ALDH1A1TRPV1DPP4HTTMAPT

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