SCHEMBL9843510

SCHEMBL9843510

Cn1c2ccccc2c2ccc3sc(CNC(C)(CO)COS(C)(=O)=O)cc3c21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
HSP90AA1 P07900 1/20 0.31
IDO1 P14902 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ABL1 P00519 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
RIN1 Q13671 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL9843508 0.91 SLC2A1 (0.41) SLC2A1KDM4EHSD17B10HPGDMAPT
SCHEMBL9754534 0.88 ALKBH5 (0.35) SLC2A1KDM4EHSD17B10HPGDMAPT
SCHEMBL9843454 0.78 SLC2A1 (0.47) SLC2A1KDM4EHSD17B10HPGDNPSR1
SCHEMBL9778964 0.73 SLC2A1 (0.42) SLC2A1KDM4EMAPTNPSR1
SCHEMBL9538126 0.71 SLC2A1 (0.50) SLC2A1KDM4EMAPTALDH1A1
SCHEMBL9536977 0.71 SLC2A1 (0.50) SLC2A1MAPTALDH1A1
SCHEMBL9779056 0.70 SLC2A1 (0.41) SLC2A1
SCHEMBL9537789 0.69 SLC2A1 (0.42) SLC2A1HPGDMAPTALDH1A1
SCHEMBL9537180 0.69 RORC (0.35) SLC2A1KDM4EMAPTALDH1A1CYP1A2
SCHEMBL9537874 0.69 SLC2A1 (0.41) SLC2A1MAPTALDH1A1

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
EP-0447703-A1 Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-25 EP disclosed