SCHEMBL6239332

SCHEMBL6239332

CCCC(NC(=O)c1oc2ccccc2c1C)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.40
FAP Q12884 4/20 0.40
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CTSK P43235 6/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSL P07711 4/20 0.34
CTSS P25774 4/20 0.34
CTSV O60911 1/20 0.34
CTSB P07858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL4040090 0.89 PREP (0.36) PREPFAPCTSKCTSLCTSS
SCHEMBL4045351 0.85 CTSK (0.44) PREPFAPSMN1; SMN2CTSKCTSL
SCHEMBL6213754 0.83 CTSK (0.40) PREPFAPCTSKCTSLCTSS
SCHEMBL6209255 0.83 PREP (0.41) PREPFAPCTSKCTSLCTSS
SCHEMBL4043416 0.83 CTSK (0.54) PREPFAPSMN1; SMN2CTSKALDH1A1
SCHEMBL4039917 0.83 CTSK (0.45) PREPFAPCTSKCTSLCTSS
SCHEMBL6209147 0.82 CTSK (0.50) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4039168 0.82 CTSK (0.43) PREPFAPNPC1RAB9ASMN1; SMN2
SCHEMBL4042221 0.82 CTSK (0.46) PREPFAPCTSKCTSLCTSS
SCHEMBL4041462 0.82 CTSK (0.54) PREPFAPCTSKCTSLCTSS

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