SCHEMBL11533929

SCHEMBL11533929

CC(=O)c1ccc(N2CCCCC2)c(S(N)(=O)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.56
MMP2 P08253 1/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
SLC6A4 P31645 1/20 0.48
HIF1A Q16665 1/20 0.48
GAA P10253 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL9436740 0.87 KDM4E (0.64) SLC9A1MMP2ALDH1A1KDM4EHSD17B10
SCHEMBL8214404 0.86 SLC6A9 (0.56) ALDH1A1KDM4EHPGDLMNAPOLB
SCHEMBL11536336 0.82 SLC9A1 (0.50) SLC9A1MMP2ALDH1A1KDM4EHSD17B10
SCHEMBL9194834 0.81 SLC9A1 (0.80) SLC9A1MMP2
Hydrochloric Acid SCHEMBL9436759 0.80 SLC9A1 (0.78) SLC9A1MMP2
SCHEMBL9194831 0.79 SLC9A1 (0.50) SLC9A1MMP2ALDH1A1KDM4EHSD17B10
SCHEMBL29978999 0.79 KDM4E (0.74) ALDH1A1KDM4EHSD17B10HPGDLMNA
Hydrochloric Acid SCHEMBL9195564 0.78 SLC9A1 (0.49) SLC9A1MMP2ALDH1A1KDM4EHSD17B10
SCHEMBL17774624 0.77 MAPT (0.59) SLC9A1ALDH1A1KDM4EHSD17B10USP2
SCHEMBL17774553 0.77 MAPT (0.59) SLC9A1ALDH1A1KDM4EHSD17B10USP2

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
US-4140713-A Phenylethanolamine therapeutic agents ALLEN & HANBURYS LIMITED (GB) 1979-02-20 US disclosed