SCHEMBL14977504

SCHEMBL14977504

COc1ccc(-n2ncc3c2CCCC3NC(=O)c2ccc(C)cn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.68
KMT2A Q03164 6/20 0.60
MEN1 O00255 4/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TNF P01375 1/20 0.55
POLB P06746 1/20 0.55
NR2F2 P24468 1/20 0.55
NOD1 Q9Y239 1/20 0.55
GFER P55789 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
SCHEMBL14985372 0.91 KMT2A (0.57) DHODHKMT2AMEN1NPC1RAB9A
SCHEMBL14977635 0.90 KMT2A (0.59) DHODHKMT2AMEN1
SCHEMBL14977788 0.88 DHODH (0.69) DHODHKMT2AMEN1
SCHEMBL14977583 0.88 RAB9A (0.68) DHODHKMT2AMEN1NPC1RAB9A
SCHEMBL14977149 0.88 DHODH (0.68) DHODHKMT2AMEN1NPC1RAB9A
SCHEMBL14977780 0.87 DHODH (0.80) DHODHKMT2AMEN1NPC1RAB9A
SCHEMBL14985332 0.86 KMT2A (0.58) DHODHKMT2AMEN1NPC1RAB9A
SCHEMBL14977820 0.85 DHODH (0.66) DHODHKMT2AMEN1NPC1RAB9A
SCHEMBL14977362 0.84 KMT2A (0.56) DHODHKMT2AMEN1NPC1RAB9A
SCHEMBL14977805 0.84 KMT2A (0.61) DHODHKMT2AMEN1NPC1RAB9A

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