SCHEMBL9536173

SCHEMBL9536173

CC(=O)Nc1[c]cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GFER P55789 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GPR35 Q9HC97 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
SCHEMBL9870004 0.75 TDP1 (0.42) KMT2AMEN1SMN1; SMN2THRBL3MBTL1
SCHEMBL27740477 0.74 PKM (0.45) KMT2AMEN1POLBPKMHTT
SCHEMBL10766968 0.74 ALDH1A1 (0.50) KMT2AMEN1POLBPKMHTT
SCHEMBL5250996 0.74 ALDH1A1 (0.50) KMT2AMEN1POLBHTTSMN1; SMN2
SCHEMBL9185883 0.74 KMT2A (0.56) KMT2AMEN1POLBPKMLMNA
SCHEMBL7474735 0.74 HSD17B10 (0.41) KMT2AMEN1POLBPKMLMNA
SCHEMBL733777 0.73 KMT2A (0.69) KMT2AMEN1PKMHTTMAPT
SCHEMBL5475468 0.73 SMN1; SMN2 (0.44) KMT2AMEN1POLBPKMLMNA
SCHEMBL8662132 0.73 ALDH1A1 (0.41) KMT2APOLBPKMLMNAHTT
SCHEMBL29740651 0.73 KMT2A (0.69) KMT2AMEN1PKMHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP claimed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP claimed
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