SCHEMBL14977705

SCHEMBL14977705

COc1ccc(-n2ncc3c2CCCC3NC(=O)c2ccccc2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
DHODH Q02127 9/20 0.59
HSP90AA1 P07900 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
TTR P02766 1/20 0.55

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
SCHEMBL14977701 0.90 MEN1 (0.59) MEN1KMT2ADHODHHSP90AA1NPC1
SCHEMBL14977744 0.90 NOD1 (0.63) MEN1KMT2ADHODHNPC1RAB9A
SCHEMBL14977805 0.89 KMT2A (0.61) MEN1KMT2ADHODHHSP90AA1NPC1
SCHEMBL14977611 0.87 DHODH (0.64) MEN1KMT2ADHODHNPC1RAB9A
SCHEMBL14977745 0.87 MEN1 (0.57) MEN1KMT2ADHODHHSP90AA1NPC1
SCHEMBL14977399 0.87 DHODH (0.72) MEN1KMT2ADHODHNPC1RAB9A
SCHEMBL14977788 0.85 DHODH (0.69) MEN1KMT2ADHODH
SCHEMBL14977583 0.85 RAB9A (0.68) MEN1KMT2ADHODHNPC1RAB9A
SCHEMBL14977533 0.84 KMT2A (0.78) MEN1KMT2ADHODHHSP90AA1NPC1
SCHEMBL14985332 0.83 KMT2A (0.58) MEN1KMT2ADHODHNPC1RAB9A

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