SCHEMBL6894765

SCHEMBL6894765

CCCN(CCC)CCOc1cc(NC(=O)c2ccc([S+]([O-])c3ccc(Cl)cc3)c([N+](=O)[O-])c2)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 6/20 0.45
MCHR1 Q99705 1/20 0.44
SLC2A1 P11166 2/20 0.44
POLB P06746 3/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.42
SETD7 Q8WTS6 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL6898867 0.92 MEN1 (0.45) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6894761 0.89 MCHR1 (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6900622 0.86 MEN1 (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6897498 0.81 MCHR1 (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6899460 0.80 MCHR1 (0.62) ALDH1A1MCHR1RAB9A
SCHEMBL6892155 0.79 MCHR1 (0.55) ALDH1A1MCHR1RAB9A
SCHEMBL6898470 0.77 MEN1 (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6604498 0.76 MCHR1 (0.55) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6900615 0.75 MCHR1 (0.61) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6927024 0.73 MCHR1 (0.66) MEN1KMT2AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 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