SCHEMBL6209876

SCHEMBL6209876

CC(CCNC(=O)c1ccc(C(C)C)cc1)CC(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.42
LMNA P02545 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
EPHX2 P34913 1/20 0.36
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM5A P29375 1/20 0.34
CCR5 P51681 2/20 0.34
NAMPT P43490 1/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL6210619 0.93 KMT2A (0.45) CTSKLMNAKMT2AMEN1EPHX2
SCHEMBL6210442 0.92 CTSK (0.52) CTSKLMNAKMT2AMEN1CTSL
SCHEMBL6210543 0.91 CTSK (0.44) CTSKKMT2AMEN1CCR5NAMPT
SCHEMBL6212228 0.90 CTSK (0.42) CTSKKMT2AMEN1CTSLCTSS
SCHEMBL6210377 0.90 CTSK (0.40) CTSKKMT2AMEN1EPHX2CTSL
SCHEMBL6211096 0.90 CTSK (0.44) CTSKKMT2AMEN1CTSLCTSS
SCHEMBL6211885 0.89 RAB9A (0.44) CTSKKMT2AMEN1CTSLCTSS
SCHEMBL6210632 0.89 CTSK (0.40) CTSKKMT2AMEN1CTSLCTSS
SCHEMBL6211900 0.88 TLR7 (0.42) CTSKKMT2ACCR5
SCHEMBL6211690 0.88 CTSK (0.39) CTSKKMT2AMEN1KDM5ANAMPT

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