SCHEMBL8993752

SCHEMBL8993752

O=C(Cn1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1=O)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.55
ALDH1A1 P00352 2/20 0.54
HTT P42858 1/20 0.54
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.46
HTR6 P50406 1/20 0.45
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43

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
SCHEMBL8993750 0.78 ALDH1A1 (0.43) F10ALDH1A1HTR6PLAU
SCHEMBL8993809 0.73 ALDH1A1 (0.46) F10ALDH1A1HTTGAAHSD17B10
SCHEMBL14603136 0.71 F10 (1.00) F10
SCHEMBL2907379 0.71 HSD17B10 (0.47) F10ALDH1A1HTTGAAHSD17B10
SCHEMBL27489065 0.68 PLG (0.67) F10ALDH1A1HTTPLGPLAU
SCHEMBL3071074 0.68 ALDH1A1 (0.46) F10ALDH1A1HTTGAAPLG
SCHEMBL3064539 0.68 GAA (0.48) F10ALDH1A1HTTGAAHSD17B10
SCHEMBL5273212 0.68 ALDH1A1 (0.47) F10ALDH1A1HTTGAAHSD17B10
SCHEMBL8721773 0.68 F10 (0.63) F10ALDH1A1HTTPLGPLAU
Hydrochloric Acid SCHEMBL6793275 0.68 PLG (0.66) F10PLGPLAU

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-5489583-A FOR TREATING OR PREVENTING THROMBOSIS BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed