SCHEMBL4766384

SCHEMBL4766384

Cc1cc([CH]COCCCc2cccnc2)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CYP19A1 P11511 2/20 0.38
GRM2 Q14416 1/20 0.36
MGMT P16455 1/20 0.36
FKBP1A P62942 1/20 0.35
PTAFR P25105 4/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNA7 P36544 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4775904 0.85 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1GRM2MGMT
SCHEMBL4769070 0.80 SMN1; SMN2 (0.39) CYP11B1CYP11B2CYP19A1GRM2MGMT
SCHEMBL4766386 0.77 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1GRM2MGMT
SCHEMBL5340881 0.74 MAPT (0.37) CYP11B1CYP11B2CYP19A1GRM2MGMT
SCHEMBL4793392 0.69 CDK5 (0.41) CYP11B1CYP11B2CYP19A1PTAFRPOLB
SCHEMBL5339398 0.68 ACP1 (0.39) CYP11B1CYP11B2CYP19A1MGMTPTAFR
SCHEMBL6696621 0.67 ACHE (0.42)
SCHEMBL4775908 0.65 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1GRM2MGMT
SCHEMBL562914 0.64 CDK5 (0.48) POLBTDP1L3MBTL1SMN1; SMN2
SCHEMBL14524266 0.64 TDP1 (0.64) PTAFRTDP1L3MBTL1CHRNA7

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