SCHEMBL9701135

SCHEMBL9701135

CC(C)Oc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.55
TGFBR1 P36897 5/20 0.53
WDR5 P61964 2/20 0.51
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 3/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL11475818 0.94 WDR5 (0.56) PDE10ATGFBR1WDR5ATMSMN1; SMN2
Hydrochloric Acid SCHEMBL11490578 0.92 WDR5 (0.55) PDE10ATGFBR1WDR5ATMSMN1; SMN2
SCHEMBL7381132 0.88 TGFBR1 (0.67) PDE10ATGFBR1WDR5ATMSMN1; SMN2
SCHEMBL7378452 0.84 PDE10A (0.57) PDE10ATGFBR1WDR5ATMSMN1; SMN2
SCHEMBL9701112 0.84 PDE10A (0.57) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9436323 0.84 TGFBR1 (0.63) PDE10ATGFBR1WDR5ATMSMN1; SMN2
SCHEMBL9700069 0.82 PDE10A (0.55) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9199906 0.81 PDE10A (0.57) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL7378515 0.81 TGFBR1 (0.65) PDE10ATGFBR1SMN1; SMN2KDM4EMAPK13
SCHEMBL9297972 0.81 PDE10A (0.57) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306300-A2 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-03-08 EP claimed
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
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
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
EP-0306300-A2 Pyrrolo(1,2-a)imidazole and imidazo(1,2-a)pyridine derivatives and their use as 5-lipoxygenase pathway inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-03-08 EP disclosed