SCHEMBL6894726

SCHEMBL6894726

COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)cc1CCCN(C(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
ALDH1A1 P00352 7/20 0.48
MAPT P10636 5/20 0.48
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.45
POLB P06746 3/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6894728 0.90 MAPT (0.49) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6898462 0.87 MCHR1 (0.53) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL7057564 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6895425 0.80 MCHR1 (0.48) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6899663 0.80 MCHR1 (0.49) ALDH1A1MAPTHTR1DHTR1BSMN1; SMN2
SCHEMBL6898470 0.78 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL6896350 0.74 MCHR1 (0.60) HTR1DHTR1B
SCHEMBL6928002 0.74 MCHR1 (0.71) HTR1DHTR1B
SCHEMBL6901296 0.73 MCHR1 (0.72) MEN1KMT2AHTR1DHTR1BRAB9A
SCHEMBL6898060 0.73 MCHR1 (0.72) HTR1DHTR1B

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