SCHEMBL9754530

SCHEMBL9754530

Cn1c2ccccc2c2cc(CNC(C)(CO)CO)c3sccc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.48
KDM4E B2RXH2 6/20 0.35
HPGD P15428 6/20 0.35
HSD17B10 Q99714 5/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 5/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
FTO Q9C0B1 1/20 0.32
GPR3 P46089 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 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
SCHEMBL9843455 0.95 SLC2A1 (0.56) SLC2A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL9843454 0.88 SLC2A1 (0.47) SLC2A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL9779073 0.85 SLC2A1 (0.43) SLC2A1KDM4EHPGDHSD17B10NPSR1
Hydrochloric Acid SCHEMBL9779120 0.84 SLC2A1 (0.43) SLC2A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL9754644 0.83 SLC2A1 (0.54) SLC2A1KDM4EHSD17B10NPSR1ALDH1A1
SCHEMBL9754641 0.77 SLC2A1 (0.45) SLC2A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL9754616 0.76 SLC2A1 (0.39) SLC2A1KDM4EHPGDHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL9754584 0.76 SLC2A1 (0.38) SLC2A1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL9754534 0.72 ALKBH5 (0.35) SLC2A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL9538640 0.72 SLC2A1 (0.58) SLC2A1HPGDALDH1A1KMT2AMAPT

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