SCHEMBL13993295

SCHEMBL13993295

C#CCN1C(=O)C(C)(C)[N+](=O)C(C)(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.38
MYC P01106 1/20 0.34
MAX P61244 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP19A1 P11511 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
SCHEMBL3024718 0.73 POLB (0.42) AMY1AMAOAMAOBCYP19A1
SCHEMBL3022052 0.73 CYP19A1 (0.36) AMY1AMAOAMAOBCYP19A1
SCHEMBL8997602 0.68 POLB (0.61)
SCHEMBL8997578 0.67 RAB9A (0.37) AMY1AMAOAMAOBCYP19A1
SCHEMBL11484950 0.63 LMNA (0.33) AMY1ACYP19A1
SCHEMBL13249589 0.63
SCHEMBL11760694 0.60 POLB (0.33) AMY1AMAOAMAOBCYP19A1
SCHEMBL11726006 0.60 CHRM2 (0.48) AMY1AMAOAMAOBCYP19A1
SCHEMBL16116451 0.60
SCHEMBL379033 0.60 MAOA (0.47) AMY1AMAOAMAOBCYP19A1

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-2008155247-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES BASF SE (CH) 2008-12-24 WO disclosed