SCHEMBL4766386

SCHEMBL4766386

[CH2]C(OCCCc1cccnc1)c1cc(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

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
PTAFR P25105 3/20 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
FKBP1A P62942 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4775908 0.85 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1GRM2MGMT
SCHEMBL4766384 0.77 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1GRM2MGMT
SCHEMBL4769070 0.77 SMN1; SMN2 (0.39) CYP11B1CYP11B2CYP19A1GRM2MGMT
SCHEMBL5340881 0.70 MAPT (0.37) CYP11B1CYP11B2CYP19A1GRM2MGMT
SCHEMBL4793392 0.65 CDK5 (0.41) CYP11B1CYP11B2CYP19A1PTAFRPOLB
SCHEMBL14499025 0.65 TDP1 (0.57) TDP1L3MBTL1CHRNA7
SCHEMBL562914 0.64 CDK5 (0.48) POLBTDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6696621 0.64 ACHE (0.42)
SCHEMBL27598921 0.63 TDP1 (0.59) CYP19A1PTAFRTDP1L3MBTL1CHRNA7
SCHEMBL11100588 0.62 TBXAS1 (0.52) PTAFRTDP1L3MBTL1CHRNA7KMT2A

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