SCHEMBL7378452

SCHEMBL7378452

CSOc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.57
TGFBR1 P36897 5/20 0.52
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
MAPK13 O15264 5/20 0.39
MAPK12 P53778 5/20 0.39
MAPK11 Q15759 5/20 0.39
MAPK14 Q16539 5/20 0.39
TGFBR2 P37173 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7381132 0.86 TGFBR1 (0.67) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9701135 0.84 PDE10A (0.55) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL7352490 0.84 PDE10A (0.60) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL7377231 0.84 PDE10A (0.60) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9701112 0.83 PDE10A (0.57) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9436323 0.83 TGFBR1 (0.63) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9700069 0.81 PDE10A (0.55) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9700092 0.81 PDE10A (0.56) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL7378515 0.80 TGFBR1 (0.65) PDE10ATGFBR1SMN1; SMN2KDM4EHPGD
SCHEMBL7343693 0.80 TGFBR1 (0.65) PDE10ATGFBR1SMN1; SMN2KDM4EHPGD

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-0533837-A4 INHIBITION OF 5-LIPOXYGENASE AND CYCLOOXYGENASE PATHWAY MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 1994-11-17 EP disclosed
EP-0533837-A1 INHIBITION OF 5-LIPOXYGENASE AND CYCLOOXYGENASE PATHWAY MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-03-31 EP disclosed
WO-1991019497-A1 INHIBITION OF 5-LIPOXYGENASE AND CYCLOOXYGENASE PATHWAY MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-26 WO 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-1990015534-A1 MONOKINE ACTIVITY INTERFERENCE SMITHKLINE BEECHAM CORPORATION (US) 1990-12-27 WO disclosed
EP-0403251-A2 Monokine activity interference SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed