SCHEMBL6557052

SCHEMBL6557052

[O-][n+]1[c]c(-c2ncc3ccccc3[n+]2[O-])nc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GPR3 P46089 1/20 0.31

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
SCHEMBL5250885 0.72 ATM (0.45) ATMKDM4EGPR3
SCHEMBL3111168 0.70 ATM (0.40) ATMKDM4E
SCHEMBL4559941 0.64 ATM (0.48) ATMCRHBPCRHR2KEAP1NFE2L2
SCHEMBL8424490 0.64 ATM (0.48) ATMCRHBPCRHR2KEAP1NFE2L2
SCHEMBL3535166 0.64 ATM (0.48) ATMCRHBPCRHR2KEAP1NFE2L2
SCHEMBL4620642 0.64 ATM (0.48) ATMCRHBPCRHR2KEAP1NFE2L2
SCHEMBL5259264 0.64 ATM (0.48) ATMCRHBPCRHR2KEAP1NFE2L2
SCHEMBL29359446 0.62 CRHBP (0.61) ATMCRHBPCRHR2KEAP1NFE2L2
SCHEMBL51330 0.62 CRHBP (0.61) ATMCRHBPCRHR2KEAP1NFE2L2
SCHEMBL9769252 0.62 ATM (0.45) ATMKDM4EGPR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392645-A2 AZA HYDROXYLATED ETHYL AMINE COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002094768-A2 AZA HYDROXYLATED ETHYL AMINE COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2002-11-28 WO disclosed