SCHEMBL9045533

SCHEMBL9045533

CCN(CC)CC.Cc1cc(NCC(C)C)c([N+](=O)[O-])c(OS(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MAPT P10636 3/20 0.31
PTGS2 P35354 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DPP4 P27487 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL8114882 0.94 TLR7 (0.34) ARTLR7MAPTPTGS2MAPK1
SCHEMBL8123311 0.81 MAPT (0.40) MAPTPTGS2MAPK1TDP1L3MBTL1
SCHEMBL8127295 0.77 LMNA (0.42) MAPT
SCHEMBL8127293 0.75 ALDH1A1 (0.43) MAPTPTGS2MAPK1TDP1L3MBTL1
SCHEMBL8128780 0.74 MAPT (0.33) MAPTMAPK1TDP1L3MBTL1DPP4
SCHEMBL6218914 0.73 MAPT (0.41) TLR7MAPTPTGS2MAPK1TDP1
SCHEMBL8127829 0.73 PDE4A (0.36) MAPTTDP1L3MBTL1ALDH1A1HTT
SCHEMBL842730 0.71 TLR7 (0.42) TLR7MAPTMAPK1TDP1ALDH1A1
SCHEMBL4302908 0.71 ALOX5 (0.38) MAPTTDP1L3MBTL1ALDH1A1
SCHEMBL5827758 0.69 MAPT (0.41) MAPTMAPK1TDP1L3MBTL1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708772-A1 IMIDAZO [4,5-c]PYRIDIN-4-AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 EP disclosed
WO-1995002597-A1 IMIDAZO[4,5-c]PYRIDIN-4-AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO disclosed