SCHEMBL3367639

SCHEMBL3367639

Cc1cc([N+](=O)[O-])nc(C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
TDP1 Q9NUW8 4/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 4/20 0.39
RECQL P46063 2/20 0.39
GAA P10253 2/20 0.38
POLB P06746 2/20 0.37
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
KMT2A Q03164 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL28163227 0.80 CYP1A2 (0.41) ALDH1A1TDP1CYP3A4TSHRMEN1
SCHEMBL16028870 0.77 CYP1A2 (0.43) ALDH1A1TDP1CYP3A4TSHRGAA
SCHEMBL11619853 0.75 POLB (0.45) ALDH1A1TDP1CYP3A4TSHRPOLB
SCHEMBL11622935 0.73 GAA (0.42) ALDH1A1TDP1RECQLGAAPOLB
SCHEMBL26126786 0.71 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRGAA
SCHEMBL8115324 0.70 TDP1 (0.41) ALDH1A1TDP1CYP3A4TSHRPOLB
SCHEMBL7698043 0.70 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHRRECQL
SCHEMBL28029436 0.69 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRRECQL
SCHEMBL28052114 0.69 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRKDM4E
SCHEMBL26127158 0.69 UHRF1 (0.50) ALDH1A1TDP1CYP3A4TSHRRECQL

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
CN-101484453-B Derivatives of imidazo [1, 2-alpha ] pyridine-2-carboxamides, their preparation and their use in therapy SANOFI AVENTIS 2012-07-04 CN disclosed
EP-2041133-B1 DERIVATIVES OF IMIDAZO [1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-13 EP disclosed
CN-101484453-A Derivatives of imidazo [1, 2-alpha ] pyridine-2-carboxamides, their preparation and their use in therapy SANOFI AVENTIS (FR) 2009-07-15 CN disclosed
EP-2041133-A1 DERIVATIVES OF IMIDAZO [1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
WO-2008003856-A1 DERIVATIVES OF IMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-01-10 WO disclosed