SCHEMBL6828648

SCHEMBL6828648

COc1ccc(SC(=O)c2ccc(C=O)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.54
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 7/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2A6 P11509 1/20 0.40
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
HTT P42858 2/20 0.37
LDHA P00338 1/20 0.37
TSHR P16473 1/20 0.36
F2RL1 P55085 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
SCHEMBL6831024 0.83 TERT (0.60) TERTALDH1A1MAPTNPC1LMNA
SCHEMBL6830047 0.83 MAPT (0.41) TERTMGAMGAASIMGAM2
SCHEMBL6831124 0.80 TERT (0.51) TERTMGAMGAASIMGAM2
SCHEMBL6826142 0.80 TERT (0.51) TERTMGAMGAASIMGAM2
SCHEMBL6828953 0.80 TERT (0.51) TERTALDH1A1MAPTLMNATSHR
SCHEMBL6831061 0.79 MAPT (0.51) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL29183765 0.79 MAPT (0.50) GAAALDH1A1HPGDMAPTNPC1
SCHEMBL7121858 0.75 ALDH1A1 (0.66) GAAALDH1A1HPGDMAPTNPC1
SCHEMBL6826130 0.74 KMT2A (0.41) GAAALDH1A1HPGDMAPTNPC1
SCHEMBL7872708 0.74 ALDH1A1 (0.51) TERTGAAALDH1A1HPGDMAPT

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
WO-2004037808-A1 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-05-06 WO disclosed