SCHEMBL7128093

SCHEMBL7128093

CC(C)CC(C(=O)NCC#N)c1ccc(-c2cccc(-c3csc(N=C(N)N)n3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.58
CTSS P25774 14/20 0.58
CTSL P07711 12/20 0.58
CTSB P07858 7/20 0.58

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
SCHEMBL4714775 0.85 CTSK (0.58) CTSKCTSSCTSLCTSB
SCHEMBL6184379 0.82 CTSL (0.59) CTSKCTSSCTSLCTSB
SCHEMBL4711466 0.81 CTSK (0.72) CTSKCTSSCTSLCTSB
SCHEMBL14291583 0.81 CTSK (0.72) CTSKCTSSCTSLCTSB
SCHEMBL4713449 0.80 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL4716086 0.77 CTSK (0.68) CTSKCTSSCTSLCTSB
SCHEMBL4714342 0.77 CTSK (0.68) CTSKCTSSCTSLCTSB
SCHEMBL4714562 0.76 CTSK (1.00) CTSKCTSSCTSLCTSB
SCHEMBL4718811 0.75 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL4714654 0.74 CTSK (1.00) CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US disclosed