SCHEMBL6210259

SCHEMBL6210259

Cc1ccc(C(=O)NCCC(C)CC(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccccn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSL P07711 14/20 0.37
CTSK P43235 14/20 0.37
CTSS P25774 13/20 0.37
SMYD3 Q9H7B4 3/20 0.36
CTSV O60911 1/20 0.36
CTSB P07858 1/20 0.36
DPP4 P27487 1/20 0.35

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
SCHEMBL6211016 0.93 CTSK (0.37) CTSLCTSKCTSSSMYD3CTSV
SCHEMBL6213254 0.93 CTSK (0.44) MEN1KMT2ACTSLCTSKCTSS
SCHEMBL6210934 0.92 CTSK (0.44) CTSLCTSKCTSSSMYD3CTSV
SCHEMBL6211626 0.92 CCR5 (0.38) CTSLCTSKCTSSDPP4
SCHEMBL6209898 0.91 CTSK (0.38) CTSLCTSKCTSSSMYD3CTSV
SCHEMBL6211360 0.91 CHRM4 (0.40) CTSLCTSKCTSS
SCHEMBL6213978 0.91 CASR (0.38) CTSLCTSKCTSSCTSVCTSB
SCHEMBL6210002 0.91 CTSK (0.36) CTSLCTSKCTSSSMYD3CTSV
SCHEMBL6211873 0.91 CTSK (0.39) CTSLCTSKCTSS
SCHEMBL6209864 0.90 CTSL (0.41) KMT2ACTSLCTSKCTSSSMYD3

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-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed