SCHEMBL6894728

SCHEMBL6894728

CCCN(CCC)CCCc1cc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
SLC2A1 P11166 2/20 0.48
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
ALDH1A1 P00352 7/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
POLB P06746 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6894726 0.90 MEN1 (0.48) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6898470 0.87 MEN1 (0.48) MAPTSLC2A1MEN1KMT2AALDH1A1
SCHEMBL6899668 0.80 CA12 (0.52) MAPTALDH1A1GAAHTR1DHTR1B
SCHEMBL6895427 0.80 MAPT (0.52) MAPTSLC2A1MEN1KMT2AALDH1A1
SCHEMBL6898462 0.78 MCHR1 (0.53) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7057564 0.75 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6896357 0.74 ATM (0.52) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL6898063 0.72 MCHR1 (0.56) HTR1DHTR1B
SCHEMBL6901301 0.72 MCHR1 (0.58) MEN1KMT2AALDH1A1HTR1DHTR1B
SCHEMBL6892180 0.72 MEN1 (0.49) MAPTMEN1KMT2AALDH1A1LMNA

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 8 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-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed