SCHEMBL2494718

SCHEMBL2494718

CC(C)CN1CC[C@@H](OC(N)=O)[C@H](O)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
PARP2 Q9UGN5 1/20 0.33
CYP2D6 P10635 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
BIRC2 Q13490 1/20 0.32
ATM Q13315 1/20 0.32
HTT P42858 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL2488711 1.00 PIK3CD (0.36) PIK3CDKMT2AALDH1A1MEN1HRH3
SCHEMBL3694790 0.75 CYP3A4 (0.43) PIK3CDKMT2AALDH1A1MEN1CYP2D6
SCHEMBL3694792 0.75 CYP3A4 (0.43) PIK3CDKMT2AALDH1A1MEN1CYP2D6
SCHEMBL14155738 0.71 SMN1; SMN2 (0.55) PIK3CDKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4667620 0.71 SMN1; SMN2 (0.55) PIK3CDKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14155739 0.71 SMN1; SMN2 (0.55) PIK3CDKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3963916 0.71 ATM (0.53) KMT2AMEN1CYP2D6ATM
SCHEMBL3962581 0.71 ATM (0.53) KMT2AMEN1CYP2D6ATM
SCHEMBL2494717 0.71 ATM (0.53) KMT2AMEN1CYP2D6ATM
SCHEMBL2488710 0.71 ATM (0.53) KMT2AMEN1CYP2D6ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379554-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
EP-2238135-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-10-13 EP disclosed
WO-2010081874-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed
WO-2009090222-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-07-23 WO disclosed