SCHEMBL6404499

SCHEMBL6404499

CN1CCN(c2nc(-c3ccc(C(=O)N[C@@H](Cc4cc(I)c(O)c(I)c4)C(=O)N(C)C#N)cc3)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.48
CTSS P25774 11/20 0.48
CTSL P07711 9/20 0.48
CTSB P07858 8/20 0.48
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6186106 0.87 CTSS (0.56) CTSKCTSSCTSLCTSB
SCHEMBL6266788 0.87 CTSS (0.56) CTSKCTSSCTSLCTSB
SCHEMBL7540238 0.85 CTSK (0.58) CTSKCTSSCTSLCTSBNPC1
SCHEMBL7486127 0.77 CTSK (0.55) CTSKCTSSCTSLCTSBNPC1
Trifluoroacetic Acid SCHEMBL6186180 0.76 MPL (0.39) CTSSCTSLNPC1RAB9AMEN1
SCHEMBL6185770 0.76 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL6185005 0.76 F10 (0.41) CTSKCTSSCTSLCTSBNPC1
SCHEMBL6185000 0.76 F10 (0.41) CTSKCTSSCTSLCTSBNPC1
SCHEMBL6266795 0.74 CTSB (0.61) CTSKCTSSCTSLCTSB
SCHEMBL6406102 0.73 MEN1 (0.39) CTSKCTSSCTSLCTSBNPC1

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-2327680-B1 PROCESS FOR PRODUCING 1-CHLORO-3,3,3-TRIFLUOROPROPENE CENTRAL GLASS CO LTD (JP) 2018-10-24 EP claimed
US-20050121649-A1 Nonflammable ethylene oxide gas blend compositions, method of making same , and method of sterilization NIMITZ, INC. D/B/A 2005-06-09 US disclosed
WO-1998002484-A1 AZEOTROPE-LIKE COMPOSITIONS OF 1,1,1,3,3-PENTAFLUOROPROPANE AND 1,1-DICHLORO-1-FLUOROETHANE ALLIEDSIGNAL INC. (US) 1998-01-22 WO disclosed