SCHEMBL4793392

SCHEMBL4793392

Cc1nc(Cl)c([N+](=O)[O-])cc1NCCOCCCc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
PTAFR P25105 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
BCL6 P41182 1/20 0.38
BCOR Q6W2J9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
HTR6 P50406 1/20 0.37
PIN1 Q13526 1/20 0.37
TP53 P04637 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL4769070 0.83 SMN1; SMN2 (0.39) CDK5CDK5R1PTAFRSMN1; SMN2MAPT
SCHEMBL5340881 0.82 MAPT (0.37) CDK5CDK5R1PTAFRSMN1; SMN2MAPT
SCHEMBL5339398 0.74 ACP1 (0.39) PTAFRSMN1; SMN2MAPTALDH1A1GSK3A
SCHEMBL1052684 0.73 GSK3A (0.48) CDK5CDK5R1PTAFRSMN1; SMN2MAPT
SCHEMBL6696621 0.72 ACHE (0.42) BCHEACHE
SCHEMBL4775513 0.71 LMNA (0.37) PTAFRSMN1; SMN2MAPTALDH1A1TP53
SCHEMBL22456637 0.69 KAT2B (0.54) MAPTHTTPOLBALDH1A1HTR6
SCHEMBL4766384 0.69 CYP11B1 (0.38) PTAFRSMN1; SMN2POLBCYP19A1CYP11B1
SCHEMBL4936233 0.67 MAPT (0.56) CDK5CDK5R1SMN1; SMN2MAPTHTT
SCHEMBL4773222 0.67 CHRNA7 (0.56) PTAFRSMN1; SMN2ALDH1A1

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