SCHEMBL6233659

SCHEMBL6233659

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)c1cc2sccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.44
CTSS P25774 5/20 0.38
CTSL P07711 4/20 0.38
CTSV O60911 2/20 0.38
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
F2RL1 P55085 2/20 0.33
HTRA1 Q92743 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4044727 0.89 CTSK (0.38) CTSKCTSSCTSLCTSV
SCHEMBL4043653 0.82 CTSK (0.66) CTSKCTSSCTSLCTSVALDH1A1
SCHEMBL4043434 0.82 CTSK (0.48) CTSKCTSSCTSLCTSVHTRA1
SCHEMBL4046471 0.81 CTSK (0.47) CTSKCTSSCTSLALDH1A1
SCHEMBL4040702 0.80 CTSK (0.38) CTSKCTSSCTSLUSP30
SCHEMBL4041899 0.80 CTSK (0.39) CTSKCTSSCTSLPREPFAP
SCHEMBL4049935 0.80 CTSK (0.53) CTSKCTSSCTSLCTSVALDH1A1
SCHEMBL6211281 0.79 CTSK (0.38) CTSKCTSSCTSLALDH1A1GAA
SCHEMBL4041496 0.78 CTSK (0.40) CTSKCTSSCTSLALDH1A1
SCHEMBL4048681 0.78 CTSL (0.32) CTSKCTSSCTSLCTSVUSP30

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