SCHEMBL9538104

SCHEMBL9538104

CC(=O)Nc1c(OCC2CO2)cccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KCNMA1 Q12791 1/20 0.41
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL3808789 0.82 ALDH1A1 (0.59) ALDH1A1GLAMAPTSMN1; SMN2POLB
SCHEMBL5983525 0.82 LMNA (0.51) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3216797 0.81 ALDH1A1 (0.50) ALDH1A1GLAKMT2AMEN1MAPT
SCHEMBL6489977 0.80 ALDH1A1 (0.49) ALDH1A1GLAKMT2AMEN1MAPT
SCHEMBL3807460 0.80 ALDH1A1 (0.49) ALDH1A1GLAMAPTSMN1; SMN2LMNA
SCHEMBL14501187 0.80 ALDH1A1 (0.44) ALDH1A1GLAKMT2AMEN1MAPT
SCHEMBL11219604 0.80 ALDH1A1 (0.55) ALDH1A1GLAKMT2AMEN1MAPT
SCHEMBL4211452 0.79 NPC1 (0.60) ALDH1A1GLAKMT2AMEN1MAPT
SCHEMBL3808783 0.79 NPC1 (0.60) ALDH1A1GLAKMT2AMEN1MAPT
SCHEMBL4211458 0.79 NPC1 (0.60) ALDH1A1GLAKMT2AMEN1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
EP-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed