SCHEMBL5605243

SCHEMBL5605243

N#CCNC(=O)CC(NCC=NS(=O)(=O)c1ccccc1)S(=O)(=O)Cc1ccccc1OC(F)F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.31
CTSK P43235 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
CTSL P07711 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3621118 0.88 CTSS (0.32) CTSSCTSKKMT2AMAPTCTSL
SCHEMBL3618558 0.84 CTSS (0.34) CTSSCTSKKMT2ACTSLLMNA
SCHEMBL5605240 0.82 CTSS (0.39) CTSSCTSKCTSLCA12CA1
SCHEMBL3625350 0.76 KMT2A (0.32) CTSSCTSKKMT2AMAPTCTSL
SCHEMBL8299221 0.73 CTSS (0.40) CTSSCTSKCTSL
SCHEMBL3621114 0.73 CTSS (0.40) CTSSCTSKCTSL
SCHEMBL3615924 0.72 CTSS (0.40) CTSSCTSKCTSL
SCHEMBL6062764 0.71 KMT2A (0.44) CTSSCTSKKMT2A
SCHEMBL3621944 0.71 CTSS (0.33) CTSSCTSKKMT2ACTSLLMNA
SCHEMBL5604851 0.70 CTSK (0.39) CTSSCTSKCTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 WO disclosed