SCHEMBL9195358

SCHEMBL9195358

Cc1csc(-c2nc3n(c2-c2ccncc2)CCC3=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.42
GABRG2 P18507 6/20 0.42
GABRB3 P28472 6/20 0.42
GABRA3 P34903 6/20 0.42
GABRA2 P47869 5/20 0.42
GABRA5 P31644 4/20 0.42
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRA4 P48169 1/20 0.35
GABRA6 Q16445 1/20 0.35
SLC6A7 Q99884 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
SCHEMBL9275639 0.87 GRM2 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7352500 0.81 PDE10A (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9700106 0.80 PDE10A (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7374155 0.78 MAPK14 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9297762 0.76 MAPK14 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9195347 0.76 MAPK14 (0.55) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL9277096 0.75 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL7381635 0.75 TEK (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9197222 0.74 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9271797 0.73 MAPK14 (0.38) MAPK13MAPK12MAPK11MAPK14KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563286-A4 NOVEL CSAIDS SMITHKLINE BEECHAM CORP (US) 1995-01-11 EP claimed
EP-0563286-A1 NOVEL CSAIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-10-06 EP claimed
WO-1992010498-A1 NOVEL CSAIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-06-25 WO claimed
EP-0563286-A4 NOVEL CSAIDS SMITHKLINE BEECHAM CORP (US) 1995-01-11 EP disclosed
EP-0563286-A1 NOVEL CSAIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-10-06 EP disclosed
WO-1992010498-A1 NOVEL CSAIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-06-25 WO disclosed