SCHEMBL7380371

SCHEMBL7380371

CCS(=O)(=O)c1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.53
TGFBR1 P36897 5/20 0.43
ATM Q13315 1/20 0.39
CSNK1D P48730 2/20 0.39
CSNK1E P49674 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TGFBR2 P37173 2/20 0.38
MAPK13 O15264 4/20 0.38
MAPK12 P53778 4/20 0.38
MAPK11 Q15759 4/20 0.38
MAPK14 Q16539 4/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS2 P35354 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
SCHEMBL9202891 0.88 PDE10A (0.55) PDE10ATGFBR1ATMCSNK1DCSNK1E
SCHEMBL7374930 0.81 PDE10A (0.53) PDE10ATGFBR1ATMCSNK1DCSNK1E
SCHEMBL7376921 0.80 PDE10A (0.54) PDE10ATGFBR1ATMCSNK1DCSNK1E
SCHEMBL9701112 0.80 PDE10A (0.57) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9199906 0.79 PDE10A (0.57) PDE10ATGFBR1ATMCSNK1DCSNK1E
SCHEMBL7378515 0.79 TGFBR1 (0.65) PDE10ATGFBR1CSNK1DCSNK1ESMN1; SMN2
SCHEMBL9297972 0.79 PDE10A (0.57) PDE10ATGFBR1ATMCSNK1DCSNK1E
SCHEMBL7343693 0.79 TGFBR1 (0.65) PDE10ATGFBR1CSNK1DCSNK1ESMN1; SMN2
SCHEMBL6581572 0.79 PDE10A (0.55) PDE10ATGFBR1ATMCSNK1DCSNK1E
SCHEMBL9700071 0.79 PDE10A (0.55) PDE10ATGFBR1ATMCSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306300-B1 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORP (US) 1995-05-03 EP claimed
EP-0411754-A2 Medicament for the inhibition of interleukin-1 or tumor necrosis factor production by monocytes and/or macrophages SMITHKLINE BEECHAM CORPORATION (US) 1991-02-06 EP claimed
WO-1990015534-A1 MONOKINE ACTIVITY INTERFERENCE SMITHKLINE BEECHAM CORPORATION (US) 1990-12-27 WO claimed
US-5317019-A Antiinflammatory agents SMITHKLINE BEECHAM CORP. (US) 1994-05-31 US disclosed
EP-0411754-A2 Medicament for the inhibition of interleukin-1 or tumor necrosis factor production by monocytes and/or macrophages SMITHKLINE BEECHAM CORPORATION (US) 1991-02-06 EP disclosed
WO-1991000092-A1 INHIBITION OF INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR PRODUCTION BY MONOCYTES AND/OR MACROPHAGES SMITHKLINE BEECHAM CORPORATION (US) 1991-01-10 WO disclosed
EP-0403251-A2 Monokine activity interference SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed