SCHEMBL27701903

SCHEMBL27701903

O=C(CNc1c(Cc2ccccc2)nc2ccc([N+](=O)[O-])cn12)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
TSPO P30536 1/20 0.41
PLAU P00749 1/20 0.40
HDAC1 Q13547 2/20 0.39
NR1H4 Q96RI1 1/20 0.38
GAA P10253 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GFER P55789 1/20 0.37
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
F2 P00734 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL27701807 0.83 PLAU (0.44) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL27722194 0.82 TSPO (0.38) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL27722213 0.82 HDAC1 (0.52) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL27722227 0.73 NR1H4 (0.45) PLAUHDAC1NR1H4MEN1KMT2A
SCHEMBL27722270 0.72 HDAC6 (0.39) MAPTPLAUHDAC1MEN1KMT2A
SCHEMBL27701659 0.72 HDAC6 (0.37) ALDH1A1MAPTPLAUHDAC1NR1H4
SCHEMBL28768873 0.71 HDAC6 (0.38) ALDH1A1PLAUHDAC1GAARAB9A
SCHEMBL27722212 0.71 PLAU (0.39) ALDH1A1MAPTPLAUHDAC1GAA
SCHEMBL27701823 0.71 HDAC6 (0.38) MAPTPLAUHDAC1MEN1KMT2A
SCHEMBL27701646 0.71 PLAU (0.39) MAPTPLAUHDAC1MEN1KMT2A

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
CN-101163703-B Imidazo [1,2-A ] pyridine derivatives as Peptide Deformylase (PDF) inhibitors NOVARTIS AG 2010-12-15 CN disclosed
CN-101163703-A Imidazo [1, 2-A ] pyridine derivatives as Peptide Deformylase (PDF) inhibitors NOVARTIS AG (CH) 2008-04-16 CN disclosed