SCHEMBL14977409

SCHEMBL14977409

CN(C)CC(=O)NC1CCCc2c1cnn2-c1ccc(OCCOCCOCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TNF P01375 2/20 0.44
NR2F2 P24468 2/20 0.44
NOD1 Q9Y239 2/20 0.44
GALR3 O60755 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL14985241 0.91 RAB9A (0.46) RAB9ANPC1KMT2AMEN1TNF
SCHEMBL14985323 0.86 DHODH (0.55) RAB9ANPC1KMT2ATNFNR2F2
SCHEMBL14977429 0.80 ATM (0.52) RAB9ANPC1KMT2AMEN1GAA
SCHEMBL14985285 0.79 DHODH (0.54) KMT2AGAA
SCHEMBL14977653 0.75 DHODH (0.60) KMT2ANOD1GAA
SCHEMBL14985324 0.71 DHODH (0.61) KMT2AMEN1NOD1GAA
SCHEMBL14985302 0.71 DHODH (0.52) KMT2AMEN1GAA
SCHEMBL14977651 0.71 DHODH (0.47) KMT2AMEN1NOD1
SCHEMBL14977772 0.68 DHODH (0.60) KMT2AMEN1GAA
SCHEMBL31584155 0.66 CA12 (0.60) KMT2AMEN1

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-2013078413-A1 MODULATORS OF LIPID STORAGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-30 WO disclosed