SCHEMBL6274440

SCHEMBL6274440

CCCC(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.48
CCR1 P32246 3/20 0.41
P2RY12 Q9H244 1/20 0.40
CTSS P25774 3/20 0.40
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PREP P48147 1/20 0.35
FAP Q12884 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
SCHEMBL4045150 0.94 CTSK (0.44) CTSKCCR1P2RY12CTSSCTSV
SCHEMBL4039142 0.93 CTSK (0.45) CTSKCCR1P2RY12CTSSCTSV
SCHEMBL4038812 0.92 CTSK (0.54) CTSKCCR1P2RY12CTSSCTSV
SCHEMBL4039713 0.92 CTSK (0.45) CTSKCCR1P2RY12CTSSCTSV
SCHEMBL4044103 0.92 CTSK (0.42) CTSKCCR1P2RY12CTSSCTSV
SCHEMBL4040752 0.92 CTSK (0.54) CTSKCCR1P2RY12CTSSCTSV
SCHEMBL4042617 0.92 CTSK (0.46) CTSKCCR1P2RY12CTSSCTSV
SCHEMBL4040062 0.91 CTSK (0.40) CTSKCCR1P2RY12CTSSCTSV
SCHEMBL4043368 0.91 CTSK (0.42) CTSKCCR1P2RY12CTSSCTSV
SCHEMBL4040448 0.90 CTSK (0.49) CTSK

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