SCHEMBL8516191

SCHEMBL8516191

NCOc1nccnc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP3A4 P08684 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
ASPH Q12797 2/20 0.36
KDM8 Q8N371 2/20 0.36
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MYC P01106 1/20 0.35
KMT2A Q03164 1/20 0.35
NAPRT Q6XQN6 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 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
SCHEMBL991266 0.80 KDM4E (0.45) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL30592770 0.75 MAPT (0.47) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL1111686 0.75 MAPT (0.47) KDM4EMAPTALDH1A1TSHRALOX15
Hydrochloric Acid SCHEMBL17674838 0.73 MAPT (0.46) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL69939 0.72 KDM4E (0.54) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL8539977 0.71 MAPT (0.41) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL29113117 0.70 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRALOX15
Hydrochloric Acid SCHEMBL9356765 0.70 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRALOX15
Water SCHEMBL335807 0.70 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRALOX15
SCHEMBL28058447 0.70 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRALOX15

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-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP claimed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP disclosed