SCHEMBL14977429

SCHEMBL14977429

COc1ccc(-n2ncc3c2CCCC3NC(=O)CN(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL14977611 0.81 DHODH (0.64) NPC1RAB9AKMT2AMEN1
SCHEMBL14977583 0.80 RAB9A (0.68) NPC1RAB9AKMT2AMEN1
SCHEMBL14977409 0.80 RAB9A (0.45) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL14977161 0.80 RAB9A (0.64) ATMNPC1RAB9AKMT2AMEN1
SCHEMBL14977713 0.80 RAB9A (0.64) ATMNPC1RAB9AKMT2AMEN1
SCHEMBL14985331 0.80 NPC1 (0.67) ATMNPC1RAB9AKMT2AMEN1
SCHEMBL14977788 0.79 DHODH (0.69) KMT2AMEN1GAA
SCHEMBL14977705 0.79 MEN1 (0.63) NPC1RAB9AKMT2AMEN1
SCHEMBL14977672 0.79 MEN1 (0.58) NPC1RAB9AKMT2AMEN1
SCHEMBL14985372 0.78 KMT2A (0.57) NPC1RAB9AKMT2AMEN1

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
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
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