SCHEMBL6828872

SCHEMBL6828872

Cc1ccccc1SC(=O)c1cccc(C=O)n1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TERT O14746 15/20 0.71
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
PSMD14 O00487 1/20 0.32
PKM P14618 1/20 0.32
AGTR1 P30556 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 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
SCHEMBL6826489 0.85 TERT (0.68) TERTALDH1A1MEN1KMT2A
SCHEMBL6828814 0.83 TERT (1.00) TERTALDH1A1MEN1KMT2A
SCHEMBL6828762 0.76 TERT (1.00) TERTALDH1A1MEN1KMT2A
SCHEMBL6829046 0.74 TERT (1.00) TERT
SCHEMBL6831258 0.74 TERT (1.00) TERTALDH1A1MEN1KMT2A
SCHEMBL6826433 0.73 TERT (1.00) TERT
SCHEMBL6831125 0.72 TERT (1.00) TERTNPC1RAB9AALDH1A1MEN1
SCHEMBL6826112 0.72 TERT (1.00) TERTKMT2A
SCHEMBL6922934 0.72 TERT (1.00) TERTALDH1A1
SCHEMBL6829690 0.72 TERT (1.00) TERTALDH1A1MEN1KMT2A

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