SCHEMBL4757119

SCHEMBL4757119

Cc1cc(CN2CCN(c3c(Br)cnc(N)c3[N+](=O)[O-])CC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 4/20 0.36
AURKA O14965 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
CTSB P07858 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL209448 0.87 POLB (0.52) POLBL3MBTL1AURKAKDM4EALDH1A1
SCHEMBL2731281 0.83 ALDH1A1 (0.52) POLBL3MBTL1ALDH1A1MAPTNPBWR1
SCHEMBL207969 0.83 AURKA (0.46) POLBL3MBTL1AURKAKDM4EALDH1A1
SCHEMBL209785 0.82 AURKA (0.47) POLBL3MBTL1AURKAKDM4EALDH1A1
SCHEMBL210615 0.82 KDM4E (0.44) L3MBTL1KDM4EALDH1A1MAPTNPBWR1
SCHEMBL208800 0.81 AURKA (0.43) POLBL3MBTL1AURKAALDH1A1MAPT
SCHEMBL208825 0.80 MAPT (0.45) POLBL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL209309 0.80 TRPV6 (0.41) L3MBTL1AURKAALDH1A1MAPTNPBWR1
SCHEMBL210022 0.79 AURKA (0.52) AURKA
SCHEMBL4757730 0.79 DRD2 (0.38) POLBL3MBTL1AURKAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed