SCHEMBL8623660

SCHEMBL8623660

CCCCCCCCCCCCCCCCCCN(C(=O)CC(N)=O)c1ccc(Sc2ccc(O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PAX8 Q06710 2/20 0.46
JAK2 O60674 1/20 0.46
TP53 P04637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GPX4 P36969 1/20 0.39
HSD17B3 P37058 6/20 0.37
LTB4R2 Q9NPC1 1/20 0.36
ESR1 P03372 4/20 0.34
ESR2 Q92731 1/20 0.34
NR1H2 P55055 1/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8627094 0.92 NPC1 (0.52) NPC1RAB9APAX8JAK2TP53
SCHEMBL8624754 0.92 NPC1 (0.52) NPC1RAB9APAX8JAK2TP53
SCHEMBL8624028 0.92 NPC1 (0.52) NPC1RAB9APAX8JAK2TP53
SCHEMBL7200619 0.89 NPC1 (0.49) NPC1RAB9APAX8JAK2TP53
SCHEMBL8391932 0.87 NPC1 (0.44) NPC1RAB9APAX8JAK2TP53
SCHEMBL8622162 0.87 NPC1 (0.44) NPC1RAB9APAX8JAK2TP53
SCHEMBL7197890 0.85 NPC1 (0.46) NPC1RAB9APAX8JAK2TP53
SCHEMBL7199967 0.85 NPC1 (0.46) NPC1RAB9APAX8JAK2TP53
SCHEMBL8391756 0.85 NPC1 (0.42) NPC1RAB9APAX8JAK2TP53
SCHEMBL9000287 0.83 NPC1 (0.48) NPC1RAB9APAX8JAK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648612-B1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-06-10 EP disclosed
US-5498772-A SUBSTRATE WITH HEAT SENSITIVE LAYER AND OPTICAL RECORDING LAYER MITSUBISHI PAPER MILLS LIMITED (JP) 1996-03-12 US disclosed
EP-0648612-A1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1995-04-19 EP disclosed