SCHEMBL17478586

SCHEMBL17478586

O=C(c1ccccc1)N1C[C@@H](O)C[C@H]1C(O)c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.62
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
ATM Q13315 1/20 0.36
GPR183 P32249 1/20 0.36
VHL P40337 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL17479511 1.00 PIK3CD (0.62) PIK3CDKDM4EMAPTKMT2AMEN1
SCHEMBL17484861 1.00 PIK3CD (0.62) PIK3CDKDM4EMAPTKMT2AMEN1
SCHEMBL17478597 1.00 PIK3CD (0.62) PIK3CDKDM4EMAPTKMT2AMEN1
SCHEMBL18837802 1.00 PIK3CD (0.62) PIK3CDKDM4EMAPTKMT2AMEN1
SCHEMBL18837763 0.91 PIK3CD (0.70) PIK3CD
SCHEMBL17484854 0.91 PIK3CD (0.70) PIK3CD
SCHEMBL17478596 0.91 PIK3CD (0.70) PIK3CD
SCHEMBL17478595 0.91 PIK3CD (0.70) PIK3CD
SCHEMBL17479559 0.91 PIK3CD (0.70) PIK3CD
SCHEMBL19711140 0.77 PIK3CD (1.00) PIK3CD

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-3174886-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-06-07 EP disclosed
WO-2016015333-A1 2-OXA-5-AZABICYCLO [2.2.1] HEPTAN-3-YL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2016-02-04 WO disclosed
WO-2016016292-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-02-04 WO disclosed