SCHEMBL9700052

SCHEMBL9700052

S=C(Oc1ccccc1)Sc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
TGFBR1 P36897 5/20 0.45
CSNK1D P48730 2/20 0.37
CSNK1E P49674 2/20 0.37
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 4/20 0.34
TP53 P04637 2/20 0.34
TGFBR2 P37173 2/20 0.34
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
HTT P42858 2/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL9752587 0.79 PDE10A (0.60) PDE10ATGFBR1CSNK1DCSNK1ESMN1; SMN2
SCHEMBL9699916 0.78 PDE10A (0.47) PDE10ATGFBR1CSNK1DCSNK1ESMN1; SMN2
SCHEMBL9198368 0.78 PDE10A (0.53) PDE10ATGFBR1CSNK1DCSNK1EATM
SCHEMBL9698924 0.77 PDE10A (0.47) PDE10ATGFBR1CSNK1DCSNK1ESMN1; SMN2
SCHEMBL7352490 0.76 PDE10A (0.60) PDE10ATGFBR1CSNK1DCSNK1EATM
SCHEMBL7377231 0.76 PDE10A (0.60) PDE10ATGFBR1CSNK1DCSNK1EATM
SCHEMBL9700058 0.76 TGFBR1 (0.42) PDE10ATGFBR1CSNK1DCSNK1EATM
SCHEMBL9701093 0.76 PDE10A (0.50) PDE10ATGFBR1CSNK1DCSNK1EATM
SCHEMBL9204491 0.76 PDE10A (0.50) PDE10ATGFBR1CSNK1DCSNK1EATM
SCHEMBL7381132 0.74 TGFBR1 (0.67) PDE10ATGFBR1ATMSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145858-A Antiinflammatory SMITHKLINE BEECHAM CORP. (US) 1992-09-08 US disclosed
US-5002941-A Antiarthritic agents, arachidonic acid metabolism SMITHKLINE BEECHAM CORPORATION (US) 1991-03-26 US disclosed
WO-1990003789-A1 PYRROLO[1,2-a]IMIDAZOLE AND IMIDAZO[1,2-a]PYRIDINE DERIVATIVES AND THEIR USE AS 5-LYPOXYGENASE PATHWAY INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-04-19 WO disclosed
EP-0364204-A1 Pyrrolo[1,2-a]imidazole and imidazo[1,2-a]pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-04-18 EP disclosed