SCHEMBL14985332

SCHEMBL14985332

COc1ccc(-n2ncc3c2CCCC3NC(=O)c2cccc(C)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
DHODH Q02127 5/20 0.57
MEN1 O00255 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TNF P01375 1/20 0.54
POLB P06746 1/20 0.54
NR2F2 P24468 1/20 0.54
NOD1 Q9Y239 1/20 0.54

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
SCHEMBL14977362 0.91 KMT2A (0.56) KMT2ADHODHMEN1NPC1RAB9A
SCHEMBL14977664 0.90 DHODH (0.54) KMT2ADHODHMEN1NPC1RAB9A
SCHEMBL14977788 0.87 DHODH (0.69) KMT2ADHODHMEN1
SCHEMBL14977504 0.86 DHODH (0.68) KMT2ADHODHMEN1NPC1RAB9A
SCHEMBL14985372 0.84 KMT2A (0.57) KMT2ADHODHMEN1NPC1RAB9A
SCHEMBL14977611 0.84 DHODH (0.64) KMT2ADHODHMEN1NPC1RAB9A
SCHEMBL14977197 0.84 MEN1 (0.61) KMT2ADHODHMEN1NPC1RAB9A
SCHEMBL14977635 0.84 KMT2A (0.59) KMT2ADHODHMEN1
SCHEMBL14977705 0.83 MEN1 (0.63) KMT2ADHODHMEN1NPC1RAB9A
SCHEMBL14977583 0.83 RAB9A (0.68) KMT2ADHODHMEN1NPC1RAB9A

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