SCHEMBL6237263

SCHEMBL6237263

Cc1c(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccn2)oc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.52
CTSL P07711 6/20 0.46
CTSS P25774 4/20 0.46
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSB P07858 2/20 0.38
CTSV O60911 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL8348149 0.89 CTSK (0.67) CTSKCTSLCTSSNPC1RAB9A
SCHEMBL4041529 0.88 CTSK (0.47) CTSKCTSLCTSSALDH1A1HSD17B10
SCHEMBL8348382 0.87 CTSK (0.57) CTSKCTSSNPC1RAB9ASMN1; SMN2
SCHEMBL6209147 0.85 CTSK (0.50) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046526 0.84 CTSK (0.72) CTSKCTSLCTSSALDH1A1HSD17B10
SCHEMBL4037045 0.84 CTSK (0.72) CTSKCTSLCTSSALDH1A1HSD17B10
SCHEMBL4041263 0.84 CTSK (0.66) CTSKCTSLCTSSALDH1A1HSD17B10
SCHEMBL6233220 0.83 CHRNB2 (0.48) CTSKSMN1; SMN2TP53HTTCHRNB2
SCHEMBL4037326 0.82 CTSK (0.65) CTSKCTSLCTSSALDH1A1HSD17B10
SCHEMBL4039935 0.82 CTSK (0.65) CTSKCTSLCTSSALDH1A1HSD17B10

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