SCHEMBL7564141

SCHEMBL7564141

NC(=O)Nc1cccc([S])c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MAPT P10636 1/20 0.52
GFER P55789 1/20 0.52
DDX3X O00571 1/20 0.47
PEPD P12955 1/20 0.47
KIF11 P52732 2/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.45
GPR35 Q9HC97 1/20 0.45
CYP1A2 P05177 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42

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
SCHEMBL3690365 0.87 MAPT (0.59) GAAMAPTGFERDDX3XPEPD
SCHEMBL7430964 0.81 GPR35 (0.52) GAAMAPTDDX3XKMT2AALDH1A1
SCHEMBL9564631 0.79 ALDH1A1 (0.66) GAAMAPTKMT2AALDH1A1NPC1
SCHEMBL3185695 0.79 KMT2A (0.66) GAAMAPTGFERPEPDKMT2A
SCHEMBL29521756 0.79 DDX3X (0.74) GAAMAPTGFERDDX3XPEPD
SCHEMBL5544315 0.79 MAPT (0.52) GAAMAPTGFERDDX3XPEPD
SCHEMBL33716 0.79 DDX3X (0.74) GAAMAPTGFERDDX3XPEPD
SCHEMBL8350546 0.78 GAA (0.50) GAAMAPTGFERDDX3XPEPD
SCHEMBL22699676 0.78 MAPT (0.50) GAAMAPTGFERDDX3XPEPD
SCHEMBL5180715 0.78 SIGMAR1 (0.57) GAAMAPTGFERDDX3XPEPD

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-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed