SCHEMBL10488657

SCHEMBL10488657

Cc1c2ccccc2c(CNC(C)(CO)COS(C)(=O)=O)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.40
CD274 Q9NZQ7 7/20 0.35
PDCD1 Q15116 6/20 0.31
CYP1A2 P05177 2/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP2D6 P10635 1/20 0.31
HIF1A Q16665 1/20 0.31
NPBWR1 P48145 1/20 0.30
KMT2A Q03164 1/20 0.30
MCHR1 Q99705 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL10488880 0.89 SLC2A1 (0.38) SLC2A1CD274CYP1A2NPBWR1KMT2A
SCHEMBL10488281 0.88 SLC2A1 (0.37) SLC2A1CD274NPBWR1KMT2AMCHR1
SCHEMBL10488305 0.87 SLC2A1 (0.36) SLC2A1
SCHEMBL10488653 0.87 SLC2A1 (0.50) SLC2A1CD274PDCD1CYP1A2TP53
SCHEMBL10488335 0.83 SLC2A1 (0.36) SLC2A1CD274PDCD1CYP1A2TP53
SCHEMBL10484383 0.83 SLC2A1 (0.40) SLC2A1CYP1A2HIF1ANPBWR1KMT2A
SCHEMBL10348691 0.82 SLC2A1 (0.39) SLC2A1CD274CYP1A2CYP2D6HIF1A
SCHEMBL10488852 0.82 CD274 (0.42) SLC2A1CD274PDCD1CYP1A2TP53
SCHEMBL10349038 0.82 SLC2A1 (0.38) SLC2A1CD274CYP2D6NPBWR1KMT2A
SCHEMBL10492815 0.82 SLC2A1 (0.42) SLC2A1CYP1A2NPBWR1KMT2AMCHR1

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