SCHEMBL8993539

SCHEMBL8993539

O=C1NCOC=C1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.45
DRD2 P14416 3/20 0.45
PARP10 Q53GL7 3/20 0.37
PARP11 Q9NR21 3/20 0.37
BACE1 P56817 1/20 0.36
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
NTRK2 Q16620 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP2 O95551 1/20 0.34
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PLA2G10 O15496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8906552 0.69 SIGMAR1 (0.41) SIGMAR1DRD2BACE1MAOAMAOB
SCHEMBL7211939 0.67 PARP10 (0.43) SIGMAR1DRD2PARP10PARP11BACE1
SCHEMBL7645920 0.63 KMT2A (0.43) PARP10PARP11CLK4ALDH1A1KMT2A
SCHEMBL12480578 0.62 BACE1 (0.60) BACE1MAOAMAOBCFTRGOPC
SCHEMBL27300041 0.61 BACE1 (0.44) BACE1AXLMAOAMAOBSMN1; SMN2
Biphenyl SCHEMBL27603297 0.58 CRBN (0.58) SIGMAR1PARP10PARP11AXLTYRO3
Biphenyl SCHEMBL20681521 0.58 KDM4E (0.50) PARP10PARP11AXLTYRO3NTRK2
SCHEMBL5531506 0.57 BACE1 (0.64) BACE1MAOAMAOBCFTRGOPC
SCHEMBL221295 0.57 BACE1 (0.65) BACE1MAOAMAOBALDH1A1GAA
SCHEMBL8191410 0.57 BACE1 (0.44) SIGMAR1DRD2BACE1AXLMAOA

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-0723535-A1 NOVEL 1,3-OXAZIN-4-ONE DERIVATIVES, HERBICIDES CONTAINING THE SAME, AND INTERMEDIATES FOR PREPARING THE SAME RHONE-POULENC AGROCHIMIE SOCIETE ANONYME (FR) 1996-07-31 EP disclosed
WO-1995010510-A1 NOVEL 1,3-OXAZIN-4-ONE DERIVATIVES, HERBICIDES CONTAINING THE SAME, AND INTERMEDIATES FOR PREPARING THE SAME RHONE-POULENC AGROCHIMIE (FR) 1995-04-20 WO disclosed