SCHEMBL9857748

SCHEMBL9857748

COC(=O)Oc1[nH]cc(-c2cccc(OC)c2)c1N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 2/20 0.56
STK3 Q13188 2/20 0.56
LRRK2 Q5S007 2/20 0.56
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
PRKDC P78527 1/20 0.45
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL9858074 0.87 ALDH1A1 (0.48) STK4STK3LRRK2ALDH1A1HSD17B10
SCHEMBL8541928 0.87 ALDH1A1 (0.61) STK4STK3LRRK2ALDH1A1HSD17B10
SCHEMBL8921302 0.82 ALDH1A1 (0.58) STK4STK3LRRK2ALDH1A1HSD17B10
SCHEMBL9857773 0.82 ALDH1A1 (0.52) STK4STK3ALDH1A1HSD17B10HPGD
SCHEMBL8546603 0.81 ALDH1A1 (0.48) STK4STK3LRRK2ALDH1A1HSD17B10
SCHEMBL9858082 0.81 ALDH1A1 (0.48) STK4STK3LRRK2ALDH1A1HSD17B10
SCHEMBL9857938 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDALOX15PRKDC
SCHEMBL9857274 0.77 ALDH1A1 (0.47) STK3LRRK2ALDH1A1HSD17B10HPGD
SCHEMBL9858081 0.76 ALDH1A1 (0.47) STK4STK3LRRK2ALDH1A1HSD17B10
SCHEMBL9857856 0.76 ALDH1A1 (0.60) STK4STK3LRRK2ALDH1A1HSD17B10

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
EP-0431371-A1 3-Aminopyrroles, process for this preparation and their use as medicaments ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-06-12 EP claimed