SCHEMBL7993224

SCHEMBL7993224

COc1ccc2c(c1)NCC2C(=O)C(=O)N(CC(=O)NC1CCOCC1)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
MITF O75030 6/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
PKM P14618 5/20 0.42
NPSR1 Q6W5P4 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 2/20 0.42
AGTR1 P30556 1/20 0.42
ATM Q13315 1/20 0.42
TLR9 Q9NR96 1/20 0.42
OPRK1 P41145 2/20 0.41
HTT P42858 2/20 0.41
PAX8 Q06710 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 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
SCHEMBL7947062 0.94 MITF (0.43) MEN1KMT2AMITFMAPTALDH1A1
SCHEMBL7951886 0.94 MITF (0.45) MEN1KMT2AMITFMAPTALDH1A1
SCHEMBL7946743 0.94 MITF (0.45) MEN1KMT2AMITFMAPTALDH1A1
SCHEMBL7998793 0.90 MITF (0.41) MEN1KMT2AMITFMAPTALDH1A1
SCHEMBL7969240 0.88 ALDH1A1 (0.36) MEN1KMT2AALDH1A1NPSR1NPC1
SCHEMBL7948016 0.87 POLB (0.38) MEN1KMT2AMITFMAPTALDH1A1
SCHEMBL7985982 0.87 KMT2A (0.40) MEN1KMT2AMITFMAPTALDH1A1
SCHEMBL7947094 0.86 POLB (0.37) MEN1KMT2AMITFMAPTALDH1A1
SCHEMBL7938408 0.85 CYP2C9 (0.43) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL7938405 0.85 FKBP1A (0.38) MEN1KMT2AALDH1A1KDM4EHTT

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-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed