SCHEMBL1128918

SCHEMBL1128918

CC(CCl)n1cnc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.46
CYP11B1 P15538 6/20 0.45
CYP11B2 P19099 6/20 0.45
TNF P01375 1/20 0.45
APAF1 O14727 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 4/20 0.44
LMNA P02545 3/20 0.44
HDAC8 Q9BY41 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.42
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
STAT6 P42226 1/20 0.39

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
SCHEMBL3867305 0.84 HPGD (0.60) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL7618324 0.83 MEN1 (0.58) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL6179506 0.83 MEN1 (0.58) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL24421919 0.81 MEN1 (0.57) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL21917711 0.81 MEN1 (0.57) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL32660137 0.81 MEN1 (0.57) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL22320027 0.80 MEN1 (0.55) MEN1HPGDKMT2AHSD17B10TDP1
Hydrochloric Acid SCHEMBL7246926 0.80 MEN1 (0.55) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL1027011 0.80 HPGD (0.68) MEN1HPGDKMT2AHSD17B10TDP1
SCHEMBL2146965 0.80 MEN1 (0.68) MEN1HPGDKMT2AHSD17B10TDP1

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-2282762-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed