SCHEMBL8529543

SCHEMBL8529543

CCOC(=O)[C@@H](N)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 6/20 0.47
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 2/20 0.45
MAOB P27338 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL8529545 1.00 L3MBTL1 (0.48) L3MBTL1MEN1KMT2AALDH1A1RAB9A
SCHEMBL10907318 0.88 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AALDH1A1RAB9A
Hydrochloric Acid SCHEMBL8724952 0.86 ALDH1A1 (0.58) L3MBTL1MEN1KMT2AALDH1A1RAB9A
Hydrochloric Acid SCHEMBL8724956 0.86 ALDH1A1 (0.58) L3MBTL1MEN1KMT2AALDH1A1RAB9A
SCHEMBL1572954 0.86 L3MBTL1 (0.56) L3MBTL1MEN1KMT2AALDH1A1RAB9A
SCHEMBL30619954 0.86 L3MBTL1 (0.56) L3MBTL1MEN1KMT2AALDH1A1RAB9A
SCHEMBL27583161 0.84 MAPT (0.47) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
Acetamide SCHEMBL4985827 0.84 L3MBTL1 (0.52) L3MBTL1MEN1KMT2AALDH1A1RAB9A
SCHEMBL28448773 0.83 MAPK1 (0.46) L3MBTL1MEN1KMT2AALDH1A1RAB9A
SCHEMBL960746 0.82 L3MBTL1 (0.53) L3MBTL1MEN1KMT2AALDH1A1RAB9A

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
EP-0705257-B1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS WELLCOME FOUND (GB) 1998-03-11 EP disclosed
EP-0705257-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-10 EP disclosed
WO-1995000505-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-05 WO disclosed