SCHEMBL9465883

SCHEMBL9465883

CC(CO)(COS(C)(=O)=O)NCc1cccc2ccc3c4ccccc4ccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 6/20 0.46
NQO2 P16083 1/20 0.34
CA2 P00918 1/20 0.33
ATM Q13315 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
HPGD P15428 1/20 0.32
VNN1 O95497 1/20 0.31
GHSR Q92847 1/20 0.31
HCRTR1 O43613 1/20 0.31
MAPT P10636 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL9465872 0.89 SLC2A1 (0.56) SLC2A1NQO2CA2ATMF2
SCHEMBL8673861 0.87 SLC2A1 (0.50) SLC2A1NQO2MEN1KMT2ALMNA
SCHEMBL10682418 0.86 SLC2A1 (0.44) SLC2A1CA2F2PRSS1PRSS2
SCHEMBL9466230 0.85 SLC2A1 (0.47) SLC2A1ATMMEN1KMT2AHPGD
SCHEMBL10492815 0.85 SLC2A1 (0.42) SLC2A1F2PRSS1PRSS2PRSS3
SCHEMBL10561773 0.85 SLC2A1 (0.42) SLC2A1MEN1KMT2ACYP3A4HPGD
SCHEMBL10348573 0.84 SLC2A1 (0.59) SLC2A1NQO2MEN1KMT2ALMNA
SCHEMBL9778957 0.84 SLC2A1 (0.41) SLC2A1NQO2LMNA
SCHEMBL10484145 0.83 SLC2A1 (0.41) SLC2A1KMT2ACYP3A4CYP2C19MMP9
SCHEMBL10484081 0.83 SLC2A1 (0.41) SLC2A1MEN1KMT2AHPGDVNN1

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-5241107-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1993-08-31 US claimed
US-5241107-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1993-08-31 US disclosed