SCHEMBL9754641

SCHEMBL9754641

CCn1c2ccccc2c2cc(CNC(C)(CO)COS(C)(=O)=O)c3sccc3c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
RORC P51449 5/20 0.33
NPY5R Q15761 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 4/20 0.31
NPSR1 Q6W5P4 3/20 0.31
KDM4E B2RXH2 2/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 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
SCHEMBL9754644 0.91 SLC2A1 (0.54) SLC2A1RORCNPY5RMEN1KMT2A
SCHEMBL9843454 0.90 SLC2A1 (0.47) SLC2A1NPSR1KDM4EHPGDHSD17B10
SCHEMBL9843455 0.80 SLC2A1 (0.56) SLC2A1RORCMEN1KMT2AMAPT
SCHEMBL9537180 0.80 RORC (0.35) SLC2A1RORCNPY5RMEN1KMT2A
SCHEMBL9538345 0.77 RORC (0.38) SLC2A1RORCNPY5RMEN1KMT2A
SCHEMBL9754530 0.77 SLC2A1 (0.48) SLC2A1NPY5RMEN1KMT2AMAPT
SCHEMBL9538878 0.76 SLC2A1 (0.55) SLC2A1
SCHEMBL9778882 0.76 SLC2A1 (0.65) SLC2A1
SCHEMBL10484210 0.74 SLC2A1 (0.48) SLC2A1LMNA
SCHEMBL9536780 0.73 SLC2A1 (0.82) SLC2A1

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-1991014688-A1 HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-03 WO disclosed