SCHEMBL3922708

SCHEMBL3922708

Cc1ncc(N)c(C)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 4/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 4/20 0.36
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL18937751 0.85 MAPT (0.36) PKMALDH1A1TDP1MAPTTP53
SCHEMBL28342145 0.85 ALDH1A1 (0.42) PKMALDH1A1TDP1MAPTKDM4E
SCHEMBL27961261 0.81 ALDH1A1 (0.38) PKMALDH1A1TDP1MAPTTP53
SCHEMBL17364540 0.78 TDP1 (0.42) PKMALDH1A1TDP1MAPTCYP3A4
SCHEMBL30600835 0.77 GRIN2D (0.41) PKMALDH1A1TDP1MAPTKDM4E
SCHEMBL8884170 0.77 GRIN2D (0.41) PKMALDH1A1TDP1MAPTKDM4E
SCHEMBL31261978 0.77 GRIN2D (0.41) PKMALDH1A1TDP1MAPTKDM4E
SCHEMBL18322671 0.77 PKM (0.42) PKMALDH1A1TDP1MAPTKDM4E
SCHEMBL12510901 0.77 GRIN2D (0.41) PKMALDH1A1TDP1MAPTKDM4E
SCHEMBL31539799 0.77 GRIN2D (0.41) PKMALDH1A1TDP1MAPTKDM4E

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-2040703-A2 DERIVATIVES OF 2-BENZOYL-IMIDAZOPYRIDINES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
WO-2008003854-A2 DERIVATIVES OF 2-BENZOYL-IMIDAZOPYRIDINES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-01-10 WO disclosed