SCHEMBL8516157

SCHEMBL8516157

O=C(O)c1ncccc1OCF

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
ALOX15 P16050 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
AGER Q15109 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 2/20 0.44
MYC P01106 1/20 0.42
NAPRT Q6XQN6 3/20 0.42
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.40
GRM4 Q14833 1/20 0.40
EGLN2 Q96KS0 1/20 0.38

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
SCHEMBL15142659 0.84 SMN1; SMN2 (0.40) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL5524278 0.82 KDM4E (0.54) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL126180 0.82 MEN1 (0.54) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL1101604 0.82 KDM4E (0.52) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL8515791 0.82 KDM4E (0.52) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL459180 0.81 MAPT (0.47) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL28269519 0.81 L3MBTL1 (0.54) KDM4EALDH1A1ALOX15L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL17028445 0.81 MEN1 (0.52) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL1138239 0.81 KDM4E (0.50) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL4425717 0.79 KDM4E (0.57) KDM4EALDH1A1MAPTALOX15L3MBTL1

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