SCHEMBL1802016

SCHEMBL1802016

C#CCN1C(=O)C(F)(F)Oc2cc(F)c(NC(=O)OCC)cc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
KCNQ2 O43526 2/20 0.37
KCNQ4 P56696 4/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNQ5 Q9NR82 3/20 0.35
KCNQ3 O43525 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL12168471 0.88 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12098094 0.87 ALDH1A1 (0.32) ALDH1A1MAPTRECQL
SCHEMBL15567283 0.83 NPC1 (0.38) ALDH1A1MAPTCYP1A2HPGDKDM4E
SCHEMBL9727365 0.82 POLB (0.44) ALDH1A1HPGDHSD17B10
SCHEMBL10233688 0.80 VRK1 (0.30) ALDH1A1
SCHEMBL18286865 0.79 HTT (0.30)
SCHEMBL900315 0.78
SCHEMBL901186 0.76 HTT (0.32)
SCHEMBL900540 0.76
SCHEMBL900513 0.74

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
US-8748348-B2 3-(3,4-dihydro-2H-benzo [1,4]oxazin-6-yl)-1H-pyrimidin-2,4-dione compounds as herbicides BASF SE (DE) 2014-06-10 US disclosed
US-8481723-B2 3-(3,4-dihydro-2H-benzo [1,4]oxazin-6-yl)-1H-Pyrimidin-2,4-dione compounds as herbicides BASF SE (DE) 2013-07-09 US disclosed
WO-2011057935-A1 3-(3,4-DIHYDRO-2H-BENZO [1,4]OXAZIN-6-YL)-1H-PYRIMIDIN-2,4-DIONE COMPOUNDS AS HERBICIDES BASF SE (DE) 2011-05-19 WO disclosed