SCHEMBL6235917

SCHEMBL6235917

CCCC(NC(=O)c1ccco1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.46
CTSL P07711 14/20 0.46
CTSS P25774 13/20 0.46
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39

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
SCHEMBL4053232 0.89 CTSK (0.48) CTSKCTSLCTSSALDH1A1PREP
SCHEMBL4044689 0.88 PREP (0.35) CTSKCTSLCTSSALDH1A1PREP
SCHEMBL4041378 0.87 CTSK (0.44) CTSKCTSLCTSSALDH1A1SMN1; SMN2
SCHEMBL4040706 0.85 CTSK (0.45) CTSKCTSLCTSSALDH1A1PREP
SCHEMBL4039999 0.85 CTSK (0.54) CTSKCTSLCTSSALDH1A1SMN1; SMN2
SCHEMBL4040873 0.85 CTSK (0.41) CTSKCTSLCTSSALDH1A1TSHR
SCHEMBL4042848 0.85 CTSK (0.54) CTSKCTSLCTSSALDH1A1PREP
SCHEMBL6235462 0.85 CCR1 (0.46) CTSKCTSLCTSSPREPFAP
SCHEMBL6236601 0.85 CTSK (0.48) CTSKCTSLCTSSALDH1A1TSHR
SCHEMBL4044041 0.85 CTSK (0.43) CTSKALDH1A1PREPFAP

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 claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed