SCHEMBL9700071

SCHEMBL9700071

C[S+]([O-])c1ccc(-c2c(-c3ccncc3)nc3n2CCC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.55
TGFBR1 P36897 5/20 0.45
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
MAPK14 Q16539 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TGFBR2 P37173 2/20 0.39
CSNK1E P49674 3/20 0.38
CSNK1D P48730 2/20 0.38
AKT1 P31749 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
SCHEMBL6581572 1.00 PDE10A (0.55) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9700054 0.96 PDE10A (0.52) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL7374930 0.87 PDE10A (0.53) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL27310627 0.85 PDE10A (0.46) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9199906 0.81 PDE10A (0.57) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL7378515 0.81 TGFBR1 (0.65) PDE10ATGFBR1SMN1; SMN2MAPK13MAPK12
SCHEMBL9297972 0.81 PDE10A (0.57) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL7343693 0.81 TGFBR1 (0.65) PDE10ATGFBR1SMN1; SMN2MAPK13MAPK12
SCHEMBL9202891 0.81 PDE10A (0.55) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9752587 0.80 PDE10A (0.60) PDE10ATGFBR1SMN1; SMN2NPC1RAB9A

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
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