SCHEMBL6675646

SCHEMBL6675646

CC(C)(C)OC(=O)NCC(NC(=O)NS)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
CTSS P25774 3/20 0.48
SYK P43405 1/20 0.48
ATM Q13315 1/20 0.43
IDO1 P14902 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL15983852 0.82 CTSK (0.50) CTSKCTSSSYKATMIDO1
SCHEMBL16379594 0.82 CTSK (0.50) CTSKCTSSSYKATMIDO1
SCHEMBL6690446 0.82 CTSK (0.48) CTSKCTSSSYKATMIDO1
SCHEMBL15283622 0.81 CTSK (0.55) CTSKCTSSSYKATMCTSL
SCHEMBL15979342 0.80 SYK (0.48) CTSKCTSSSYKATMIDO1
SCHEMBL2723123 0.80 SYK (0.71) CTSKCTSSSYKATMCTSL
SCHEMBL2723119 0.80 SYK (0.71) CTSKCTSSSYKATMCTSL
SCHEMBL1624911 0.79 NPC1 (0.58) CTSKCTSSSYKATM
SCHEMBL7739354 0.79 NPC1 (0.58) CTSKCTSSSYKATM
SCHEMBL350453 0.79 NPC1 (0.58) CTSKCTSSSYKATM

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
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed