SCHEMBL6259333

SCHEMBL6259333

CN(CCCCCCCCCCCC(=O)O)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ GSTP1 P09211 16/20 0.47
▸ GSTM2 P28161 15/20 0.47
▸ PIK3CA P42336 2/20 0.44

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
SCHEMBL31515083 0.84 MEN1 (0.46) MEN1KMT2AGSTP1GSTM2
SCHEMBL18007677 0.83 KMT2A (0.61) MEN1KMT2AGSTP1GSTM2
SCHEMBL6951880 0.81 MEN1 (0.52) MEN1KMT2AGSTP1GSTM2
SCHEMBL29524575 0.80 MEN1 (0.47) MEN1KMT2AGSTP1GSTM2
SCHEMBL14140891 0.80 MEN1 (0.54) MEN1KMT2AGSTP1GSTM2
SCHEMBL131795 0.78 MEN1 (0.52) MEN1KMT2AGSTP1GSTM2
SCHEMBL3016679 0.78 MEN1 (0.49) MEN1KMT2AGSTP1GSTM2
SCHEMBL17914175 0.78 MEN1 (0.63) MEN1KMT2AGSTP1GSTM2
SCHEMBL6123423 0.77 MEN1 (0.51) MEN1KMT2AGSTP1GSTM2
SCHEMBL31135832 0.77 MEN1 (0.56) MEN1KMT2AGSTP1GSTM2

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-1039834-B1 OPTOACOUSTIC CONTRAST AGENTS AND METHODS FOR THEIR USE IMARX PHARMACEUTICAL CORP (US) 2005-09-28 — — EP claimed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
Send feedback