SCHEMBL4789222

SCHEMBL4789222

O=C1CN=C(c2ccccc2)N1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.41
GABRG2 P18507 5/20 0.41
GABRB3 P28472 5/20 0.41
GABRA5 P31644 5/20 0.41
GABRA3 P34903 5/20 0.41
GABRA2 P47869 5/20 0.41
GABRB2 P47870 4/20 0.41
CCKBR P32239 1/20 0.41
APP P05067 1/20 0.37
OPRK1 P41145 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
CACNA1F O60840 1/20 0.36
ALB P02768 1/20 0.36
GABRB1 P18505 1/20 0.36
AKR1C3 P42330 1/20 0.36
GABRA4 P48169 1/20 0.36
AKR1C2 P52895 1/20 0.36
GABRE P78334 1/20 0.36
CACNA1D Q01668 1/20 0.36

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
SCHEMBL5014179 0.69 LMNA (0.49) OPRK1OPRM1LMNAGAAMEN1
SCHEMBL4610431 0.67 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1068403 0.59
Biphenyl SCHEMBL28794039 0.56 ALDH1A1 (0.90) LMNATDP1
Biphenyl SCHEMBL15657385 0.56 ALDH1A1 (0.60) LMNACFTRGOPCGAATDP1
Biphenyl SCHEMBL1458263 0.54 ALDH1A1 (0.69) LMNACFTRGOPCGAATDP1
Tannin Pyrogallol SCHEMBL28605084 0.53 ALDH1A1 (0.82) LMNAGAATDP1
Biphenyl SCHEMBL27573866 0.53 ALDH1A1 (0.82) LMNATDP1
Biphenyl SCHEMBL27498009 0.53 ALDH1A1 (0.82) LMNATDP1
Biphenyl SCHEMBL27508872 0.53 ALDH1A1 (0.82) LMNATDP1

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