SCHEMBL9725289

SCHEMBL9725289

Cc1cc(=O)oc2cccc(OC(=S)N(C)C)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.45
KDM4E B2RXH2 7/20 0.45
HSD17B10 Q99714 6/20 0.45
GAA P10253 6/20 0.45
MAPT P10636 5/20 0.45
GLA P06280 5/20 0.45
CASP1 P29466 4/20 0.45
CASP7 P55210 4/20 0.45
TSHR P16473 3/20 0.45
KMT2A Q03164 3/20 0.44
HPGD P15428 5/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.40
CA9 Q16790 2/20 0.39
CYP3A4 P08684 1/20 0.39
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL9923795 0.76 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL10738356 0.71 KDM4E (0.72) ALDH1A1KDM4EHSD17B10MAPTKMT2A
SCHEMBL15306012 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL15842423 0.70 KDM4E (0.53) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL29693028 0.70 KDM4E (0.46) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL4523592 0.70 MAPT (0.46) ALDH1A1GAAMAPTKMT2ALMNA
SCHEMBL9368338 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL4930754 0.70 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL13158912 0.69 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL9725303 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10GAAMAPT

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-5169838-A Anticoagulants FOURNIER INDUSTRIE ET SANTE (FR) 1992-12-08 US disclosed