SCHEMBL8348382

SCHEMBL8348382

Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]3[C@H]2C(=O)CN3C(=O)c2cccnc2)oc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.57
CHRNB2 P17787 4/20 0.44
CHRNA7 P36544 4/20 0.44
CHRNA4 P43681 4/20 0.44
CTSS P25774 1/20 0.43
GAA P10253 1/20 0.42
PREP P48147 2/20 0.38
FAP Q12884 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 2/20 0.36

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 0.92 CTSK (0.67) CTSKCTSSSMN1; SMN2L3MBTL1MAPK1
SCHEMBL6233220 0.89 CHRNB2 (0.48) CTSKCHRNB2CHRNA7CHRNA4GAA
SCHEMBL6237263 0.87 CTSK (0.52) CTSKCHRNB2CHRNA7CHRNA4CTSS
SCHEMBL13909120 0.85 CTSK (0.57) CTSKCTSS
SCHEMBL4043042 0.82 CTSK (0.68) CTSKCTSSPREPFAPALDH1A1
SCHEMBL4215661 0.81 CTSK (0.82) CTSKCTSSPREPFAPLMNA
SCHEMBL5941468 0.81 CTSK (0.82) CTSKCTSSPREPFAPLMNA
SCHEMBL4041237 0.81 CTSK (0.82) CTSKCTSSPREPFAPLMNA
SCHEMBL4215663 0.81 CTSK (0.82) CTSKCTSSPREPFAPLMNA
SCHEMBL8349685 0.81 CTSK (0.60) CTSKCTSSPREPFAPRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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