SCHEMBL6566183

SCHEMBL6566183

Cc1ccc(-c2cccc(N3CC(=O)NC3=O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
MAPT P10636 4/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 2/20 0.40
PKM P14618 2/20 0.38
HTR7 P34969 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
MGLL Q99685 1/20 0.37
PGR P06401 1/20 0.37
GRM5 P41594 1/20 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
SCHEMBL12651042 0.83 DDB1 (0.40) DDB1CRBNMAPTHSD11B1PKM
SCHEMBL10192194 0.79 MAPT (0.53) DDB1CRBNMAPTL3MBTL1PKM
SCHEMBL10338954 0.76 ALOX5 (0.52) DDB1CRBNMAPTHSD17B10L3MBTL1
SCHEMBL7257909 0.74 DDB1 (0.71) DDB1CRBNMAPTHSD17B10L3MBTL1
SCHEMBL10814936 0.74 MAPT (0.60) DDB1CRBNMAPTHSD17B10ALDH1A1
SCHEMBL8076294 0.73 DDB1 (0.47) DDB1CRBNMAPTHSD17B10L3MBTL1
SCHEMBL1788429 0.73 MEN1 (0.58) DDB1CRBNMAPTL3MBTL1HSD11B1
SCHEMBL5182235 0.73 DDB1 (0.47) DDB1CRBNMAPTHSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL3339995 0.72 HDAC1 (0.46) CPT2CPT1ACPT1B
SCHEMBL746783 0.71 CRBN (0.66) DDB1CRBNMAPTKDM4EGAA

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-0893453-B1 Chiral separation of pharmaceutical compounds with charged cyclodextrins using capillary electrophoresis BECKMAN COULTER INC (US) 2004-04-07 EP disclosed
EP-0893453-A2 Chiral separation of pharmaceutical compounds with charged cyclodextrins using capillary electrophoresis Beckman Coulter, Inc. (US) 1999-01-27 EP disclosed