SCHEMBL10488335

SCHEMBL10488335

CC(CO)(COS(C)(=O)=O)NCc1c2cccc(Cl)c2cc2c(Cl)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.36
CYP3A4 P08684 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
TP53 P04637 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CD274 Q9NZQ7 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
FPR2 P25090 1/20 0.31
MTOR P42345 1/20 0.31
CSNK1A1 P48729 1/20 0.31
MYLK Q15746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NFKB1 P19838 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL10488353 0.93 SLC2A1 (0.37) SLC2A1KMT2AMEN1CD274NPBWR1
SCHEMBL10488332 0.88 SLC2A1 (0.44) SLC2A1CYP3A4CYP1A2CYP2C19TP53
SCHEMBL10488880 0.87 SLC2A1 (0.38) SLC2A1CYP1A2KMT2ACD274NPBWR1
SCHEMBL10488851 0.84 CD274 (0.37) SLC2A1CYP3A4CYP1A2CYP2C19TP53
SCHEMBL10488281 0.84 SLC2A1 (0.37) SLC2A1KMT2ACD274NPBWR1MCHR1
SCHEMBL10488657 0.83 SLC2A1 (0.40) SLC2A1CYP3A4CYP1A2TP53KMT2A
Hydrochloric Acid SCHEMBL10488311 0.83 CD274 (0.36) SLC2A1CYP3A4CYP1A2TP53KMT2A
SCHEMBL10349038 0.83 SLC2A1 (0.38) SLC2A1KMT2ACD274CYP2D6NPBWR1
SCHEMBL10692661 0.82 MCL1 (0.33) SLC2A1CD274
SCHEMBL10488350 0.81 SLC2A1 (0.45) SLC2A1CYP3A4CYP1A2CYP2C19TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4803221-A Anthracene derivatives BURROUGHS WELLCOME CO. (US) 1989-02-07 US disclosed
US-4719049-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1988-01-12 US disclosed