SCHEMBL6898462

SCHEMBL6898462

COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.53
HTR2C P28335 1/20 0.53
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL6898470 0.90 MEN1 (0.48) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6894726 0.87 MEN1 (0.48) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL6892180 0.82 MEN1 (0.49) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6922588 0.81 MCHR1 (0.67) MCHR1HTR2CMEN1KMT2AMAPT
SCHEMBL6898474 0.80 MCHR1 (0.74) MCHR1HTR2C
SCHEMBL6900615 0.80 MCHR1 (0.61) MCHR1HTR2CALDH1A1MEN1KMT2A
SCHEMBL6892149 0.80 MCHR1 (0.65) MCHR1HTR2CALDH1A1
SCHEMBL6894728 0.78 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL6894761 0.78 MCHR1 (0.51) MCHR1HTR2CALDH1A1MEN1KMT2A
SCHEMBL6897498 0.77 MCHR1 (0.51) MCHR1HTR2CALDH1A1MEN1KMT2A

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