SCHEMBL9754616

SCHEMBL9754616

Cn1c2ccccc2c2sc3c(CNC(C)(CO)CO)cccc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 3/20 0.34
LMNA P02545 2/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
FTO Q9C0B1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
CD274 Q9NZQ7 1/20 0.31
POLB P06746 1/20 0.31
EGFR P00533 2/20 0.31
SRC P12931 2/20 0.31
GPR3 P46089 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
Hydrochloric Acid SCHEMBL9754584 0.99 SLC2A1 (0.38) SLC2A1KDM4EHSD17B10LMNAALKBH5
SCHEMBL7497855 0.77 SLC2A1 (0.34) SLC2A1KDM4EHSD17B10LMNAALKBH5
SCHEMBL9754530 0.76 SLC2A1 (0.48) SLC2A1KDM4EHSD17B10LMNAALKBH5
SCHEMBL9529479 0.76 SLC2A1 (0.46) SLC2A1KDM4ELMNAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9754560 0.76 SLC2A1 (0.34) SLC2A1KDM4EHSD17B10LMNAALKBH5
SCHEMBL9779073 0.76 SLC2A1 (0.43) SLC2A1KDM4EHSD17B10LMNAALKBH5
Hydrochloric Acid SCHEMBL9524680 0.75 SLC2A1 (0.45) SLC2A1KDM4ELMNAALDH1A1KMT2A
SCHEMBL7497862 0.75 SMN1; SMN2 (0.37) SLC2A1KDM4EHSD17B10LMNAALDH1A1
Hydrochloric Acid SCHEMBL9779120 0.75 SLC2A1 (0.43) SLC2A1KDM4EHSD17B10LMNAALKBH5
Hydrochloric Acid SCHEMBL9843519 0.74 SMN1; SMN2 (0.36) SLC2A1KDM4EHSD17B10LMNAALDH1A1

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 6 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 claimed
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 claimed
US-4999369-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-03-12 US claimed
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
US-4999369-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-03-12 US disclosed
US-4910218-A With a hydroxy containing secondary amine group BURROUGHS WELLCOME CO. (US) 1990-03-20 US disclosed