SCHEMBL4773504

SCHEMBL4773504

Cc1nc(Cl)c([N+](=O)[O-])c(Cl)c1C.Cc1nc(Cl)c([N+](=O)[O-])c(NCCOc2ccccc2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
APAF1 O14727 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ALPG P10696 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 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
SCHEMBL4775893 0.96 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2APAF1
SCHEMBL4773614 0.82 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2APAF1
SCHEMBL4770133 0.81 SMN1; SMN2 (0.44) MAPTSMN1; SMN2POLBTDP1LMNA
SCHEMBL4776209 0.81 LMNA (0.41) MAPTSMN1; SMN2GAALMNAALDH1A1
SCHEMBL4773953 0.79 POLB (0.40) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2574294 0.76 SMN1; SMN2 (0.47) MAPTSMN1; SMN2POLBTDP1LMNA
SCHEMBL4767732 0.76 HTR7 (0.43) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL4773502 0.74 MGMT (0.38) MAPTSMN1; SMN2POLBGAALMNA
SCHEMBL4775385 0.74 POLB (0.41) MAPTSMN1; SMN2POLBTDP1LMNA
SCHEMBL4772531 0.74 POLB (0.41) MAPTNPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO disclosed