SCHEMBL6370241

SCHEMBL6370241

CCN(CC)CCNc1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.60
PIM1 P11309 1/20 0.60
IDO1 P14902 1/20 0.60
LTK P29376 1/20 0.60
LIMK1 P53667 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
MAPT P10636 7/20 0.47
KMT2A Q03164 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NSD2 O96028 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
APP P05067 2/20 0.45
CHRM2 P08172 2/20 0.45
HTR1A P08908 2/20 0.45
ADRA2A P08913 2/20 0.45
CHRM1 P11229 2/20 0.45
TBXA2R P21731 2/20 0.45
SLC6A2 P23975 2/20 0.45
APEX1 P27695 2/20 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
SCHEMBL8985609 0.83 KAT2B (0.57) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8555813 0.83 MAPT (0.46) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8039525 0.81 HCAR3 (0.55) IDO1MAPTKMT2ANPSR1NSD2
SCHEMBL10644777 0.78 MAPT (0.50) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL11143939 0.77 MAPT (0.49) IDO1MAPTKMT2ANPSR1NSD2
Hydrochloric Acid SCHEMBL31741335 0.77 MAPT (0.65) IDO1MAPTKMT2AALDH1A1CTSB
SCHEMBL10848831 0.77 NQO2 (0.59) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL1594633 0.77 MAPT (0.56) MAPTNPSR1ALDH1A1LMNAPOLB
SCHEMBL5394907 0.76 MAPT (0.56) MAPTKMT2ANPSR1NSD2ALDH1A1
SCHEMBL12515299 0.76 KAT2B (0.56) MAPTKMT2ANPSR1NSD2ALDH1A1

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
US-6846953-B1 Aromatic amides WARNER LAMBERT COMPANY (US) 2005-01-25 US claimed
EP-1178953-B1 AROMATIC AMIDES WARNER LAMBERT CO (US) 2003-12-03 EP claimed
JP-2002544186-A 2002-12-24 JP claimed
EP-1178953-A1 AROMATIC AMIDES WARNER-LAMBERT COMPANY (US) 2002-02-13 EP claimed
WO-2000068184-A1 AROMATIC AMIDES WARNER-LAMBERT COMPANY (US) 2000-11-16 WO claimed