SCHEMBL6936299

SCHEMBL6936299

C=C(C)O/C(C)=C(\N)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 4/20 0.47
▸ RAB9A P51151 6/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ TGM2 P21980 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ ATM Q13315 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12657665 0.78 ALDH1A1 (0.58) ALDH1A1MAPTRAB9ANPC1CYP2C19
SCHEMBL5071228 0.76 RXFP1 (0.62) ALDH1A1MAPTRAB9ANPC1CYP2C19
SCHEMBL14292869 0.73 ALDH1A1 (0.56) ALDH1A1MAPTRAB9ANPC1CYP2C19
SCHEMBL27856323 0.71 ALDH1A1 (0.69) ALDH1A1MAPTRAB9ANPC1TP53
SCHEMBL21568085 0.71 ALDH1A1 (0.67) ALDH1A1MAPTRAB9ANPC1MEN1
SCHEMBL29764757 0.70 MAPT (0.53) ALDH1A1MAPTRAB9ANPC1CYP2C19
SCHEMBL23147334 0.69 ALDH1A1 (0.55) ALDH1A1MAPTRAB9ANPC1CYP2C19
SCHEMBL209203 0.69 MAPT (0.69) ALDH1A1MAPTRAB9ANPC1CYP2C19
SCHEMBL31598537 0.69 ALDH1A1 (0.53) ALDH1A1MAPTRAB9ANPC1CYP2C19
SCHEMBL30890711 0.68 MAPT (0.58) ALDH1A1MAPTRAB9ANPC1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011009943-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-01-27 — — WO disclosed
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