SCHEMBL6829660

SCHEMBL6829660

Cc1cccc(SC(=O)c2ccc(C=O)o2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 6/20 0.58
ALDH1A1 P00352 5/20 0.38
POLB P06746 3/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PTPN11 Q06124 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
SLC9A1 P19634 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL6829215 0.83 TERT (0.58) TERTALDH1A1POLBL3MBTL1PTPN11
SCHEMBL6831024 0.82 TERT (0.60) TERTALDH1A1SMN1; SMN2PTPN11KDM4E
SCHEMBL6830047 0.82 MAPT (0.41) TERTALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL6828867 0.77 ALDH1A1 (0.38) TERTALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL6826233 0.75 TERT (0.54) TERTALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL6829200 0.75 TERT (0.54) TERTALDH1A1POLBL3MBTL1KDM4E
SCHEMBL6829436 0.75 TERT (0.52) TERTALDH1A1POLBL3MBTL1KDM4E
SCHEMBL28939851 0.75 PTPN11 (0.44) TERTALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL6831027 0.74 LMNA (0.51) ALDH1A1POLBHPGDSMN1; SMN2TP53
SCHEMBL6831134 0.74 RAB9A (0.40) TERTALDH1A1POLBHPGDSMN1; SMN2

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