SCHEMBL4775904

SCHEMBL4775904

Cc1cc([CH]COCCCc2cccnc2)c([N+](=O)[O-])c(Oc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

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
SERPINE1 P05121 3/20 0.35
CHRNA7 P36544 1/20 0.35
FKBP1A P62942 1/20 0.35
GRM2 Q14416 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
PTAFR P25105 2/20 0.33
NR1D1 P20393 1/20 0.33
NR1H3 Q13133 1/20 0.33
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

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
SCHEMBL4766384 0.85 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1MGMTCHRNA7
SCHEMBL5339398 0.82 ACP1 (0.39) CYP11B1CYP11B2CYP19A1MGMTCHRNA7
SCHEMBL4775908 0.79 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1MGMTSERPINE1
SCHEMBL4775513 0.75 LMNA (0.37) CYP11B1CYP11B2CYP19A1MGMTSERPINE1
SCHEMBL5335896 0.70 ACP1 (0.42) CHRNA7PTAFRMEN1KMT2A
SCHEMBL6699528 0.69 BCHE (0.42)
SCHEMBL4769070 0.68 SMN1; SMN2 (0.39) CYP11B1CYP11B2CYP19A1MGMTCHRNA7
SCHEMBL4791883 0.67 KMT2A (0.32) KMT2A
SCHEMBL4795307 0.66 MAPT (0.39) CYP19A1MGMTMEN1NPC1RAB9A
SCHEMBL4774953 0.66 CHRNA7 (0.40) CHRNA7FKBP1APTAFRNPC1RAB9A

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