SCHEMBL6900622

SCHEMBL6900622

CCCN(CCC)CCOc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 5/20 0.50
SLC2A1 P11166 1/20 0.50
POLB P06746 4/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MCHR1 Q99705 2/20 0.47
RAB9A P51151 1/20 0.46
PNLIP P16233 1/20 0.45

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
SCHEMBL6900615 0.89 MCHR1 (0.61) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6895427 0.86 MAPT (0.52) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6894765 0.86 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6898867 0.84 MEN1 (0.45) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6892155 0.81 MCHR1 (0.55) ALDH1A1MCHR1RAB9A
SCHEMBL6894049 0.81 MCHR1 (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6895401 0.80 MCHR1 (0.70) MEN1KMT2AALDH1A1MCHR1RAB9A
SCHEMBL6898470 0.79 MEN1 (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6895425 0.77 MCHR1 (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6892162 0.77 MCHR1 (0.71) MEN1KMT2AMAPTTSHRMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100485-A4 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-06-09 EP claimed
JP-2002521436-A 2002-07-16 JP claimed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP claimed
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO claimed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1100485-A4 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-06-09 EP disclosed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO disclosed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed