SCHEMBL4775908

SCHEMBL4775908

[CH2]C(OCCCc1cccnc1)c1cc(C)nc(Oc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
CYP19A1 P11511 4/20 0.39
MGMT P16455 1/20 0.36
CHRNA7 P36544 1/20 0.35
SERPINE1 P05121 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
PTAFR P25105 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
GRM2 Q14416 2/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL4766386 0.85 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1MGMTCHRNA7
SCHEMBL4775904 0.79 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1MGMTCHRNA7
SCHEMBL5339398 0.79 ACP1 (0.39) CYP11B1CYP11B2CYP19A1MGMTCHRNA7
SCHEMBL4775513 0.72 LMNA (0.37) CYP11B1CYP11B2CYP19A1MGMTCHRNA7
SCHEMBL4791884 0.67 PIN1 (0.31) KMT2A
SCHEMBL6699528 0.66 BCHE (0.42)
SCHEMBL5335896 0.66 ACP1 (0.42) CHRNA7MEN1KMT2APTAFR
SCHEMBL4791531 0.66 MAPT (0.47) MGMTMEN1KMT2ALMNAHTT
SCHEMBL4766384 0.65 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1MGMTCHRNA7
SCHEMBL4769070 0.64 SMN1; SMN2 (0.39) CYP11B1CYP11B2CYP19A1MGMTCHRNA7

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