SCHEMBL6895425

SCHEMBL6895425

COc1ccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1CCCN(C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 6/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 4/20 0.47
POLB P06746 3/20 0.47
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL6895427 0.89 MAPT (0.52) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6900615 0.86 MCHR1 (0.61) MCHR1MEN1KMT2AALDH1A1LMNA
SCHEMBL6899663 0.82 MCHR1 (0.49) MCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6901296 0.80 MCHR1 (0.72) MCHR1MEN1KMT2ARAB9A
SCHEMBL6894726 0.80 MEN1 (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7057564 0.79 MEN1 (0.44) MCHR1MEN1KMT2AALDH1A1LMNA
SCHEMBL6895242 0.77 MCHR1 (0.73) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL6900622 0.77 MEN1 (0.51) MCHR1MEN1KMT2AALDH1A1LMNA
SCHEMBL6928002 0.75 MCHR1 (0.71) MCHR1
SCHEMBL6896350 0.75 MCHR1 (0.60) MCHR1

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