SCHEMBL7378261

SCHEMBL7378261

CCCSc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1

nearest known ligand 0.73

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
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK13 O15264 7/20 0.38
MAPK12 P53778 7/20 0.38
MAPK11 Q15759 7/20 0.38
MAPK14 Q16539 7/20 0.38
TGFBR2 P37173 2/20 0.37
CSNK1D P48730 2/20 0.37
CSNK1E P49674 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GCGR P47871 2/20 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
SCHEMBL7376921 0.91 PDE10A (0.54) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL7377231 0.84 PDE10A (0.60) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL7352490 0.84 PDE10A (0.60) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9698897 0.84 PDE10A (0.48) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9700069 0.82 PDE10A (0.55) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9203616 0.81 PDE10A (0.48) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9700092 0.81 PDE10A (0.56) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL7378897 0.81 PDE10A (0.48) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9198368 0.80 PDE10A (0.53) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9701112 0.79 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990015534-A1 MONOKINE ACTIVITY INTERFERENCE SMITHKLINE BEECHAM CORPORATION (US) 1990-12-27 WO 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 disclosed
WO-1990015534-A1 MONOKINE ACTIVITY INTERFERENCE SMITHKLINE BEECHAM CORPORATION (US) 1990-12-27 WO disclosed