SCHEMBL2237080

SCHEMBL2237080

CNc1c[n+]([O-])c(Br)cc1[N+](=O)[O-].CNc1cnc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.36
EGFR P00533 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.34
GALR2 O43603 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 5/20 0.33
CDC25B P30305 1/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 2/20 0.31
ALDH1A1 P00352 3/20 0.31
PKM P14618 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL1338313 0.89 HCAR3 (0.43) HCAR3EGFRHTTLMNAGALR2
SCHEMBL1337856 0.86 HCAR3 (0.45) HCAR3EGFRHTTLMNAGALR2
SCHEMBL30789457 0.86 HCAR3 (0.45) HCAR3EGFRHTTLMNAGALR2
SCHEMBL30698940 0.75 POLB (0.42) HCAR3EGFRHTTLMNAGALR2
SCHEMBL1585679 0.75 POLB (0.42) HCAR3EGFRHTTLMNAGALR2
SCHEMBL21989619 0.73 HCAR3 (0.47) HCAR3LMNAPOLBSMN1; SMN2MAPT
SCHEMBL30674815 0.73 HCAR3 (0.47) HCAR3LMNAPOLBSMN1; SMN2MAPT
SCHEMBL19497649 0.73 HCAR3 (0.45) HCAR3EGFRHTTLMNAGALR2
SCHEMBL18322039 0.71 HCAR3 (0.43) HCAR3HTTLMNAGALR2POLB
SCHEMBL16428099 0.71 HCAR3 (0.50) HCAR3HTTLMNAPOLBSMN1; SMN2

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-2361252-A1 3H-IMIDAZO [4, 5-C]PYRIDINE-6-CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-08-31 EP disclosed
WO-2010034798-A1 3H-IMIDAZO [4, 5-C] PYRIDINE-6-CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed