SCHEMBL4789227

SCHEMBL4789227

O=C1CN=C(c2ccc(S)cc2)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
JAK2 O60674 1/20 0.35
RET P07949 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MAP4K2 Q12851 1/20 0.35
IDO1 P14902 1/20 0.32
PGR P06401 1/20 0.32
CNR1 P21554 1/20 0.32
NTSR1 P30989 1/20 0.32
OPRK1 P41145 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
TNKS2 Q9H2K2 2/20 0.31

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
SCHEMBL9855447 0.81 NISCH (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4795842 0.80 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12431240 0.77 NISCH (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16661272 0.72 PIK3CD (0.41) JAK2RETMAP2K1MAP4K2CNR1
SCHEMBL7841987 0.69 NISCH (0.53) SMN1; SMN2
SCHEMBL9037598 0.63 NISCH (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12348434 0.63 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10693855 0.61 NISCH (0.46) MAP4K2PDE4DSMN1; SMN2KMT2A
SCHEMBL15630504 0.60 NISCH (0.53)
SCHEMBL63208 0.59 IDO1 (0.50) IDO1

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
WO-2008150217-A1 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONE ANALOGS FOR THE INHIBITION OF BETA-SECRETASE ASTRAZENECA AB (SE) 2008-12-11 WO claimed
WO-2008150217-A1 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONE ANALOGS FOR THE INHIBITION OF BETA-SECRETASE ASTRAZENECA AB (SE) 2008-12-11 WO disclosed