SCHEMBL14977653

SCHEMBL14977653

O=C(O)NCCOCCOCCOc1ccc(-n2ncc3c2CCCC3NC(=O)c2ccccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.60
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48

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
SCHEMBL14977772 0.92 DHODH (0.60) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14985324 0.90 DHODH (0.61) DHODHKMT2AGAASMN1; SMN2NOD2
SCHEMBL14985323 0.90 DHODH (0.55) DHODHKMT2AGAASMN1; SMN2NOD2
SCHEMBL14977651 0.87 DHODH (0.47) DHODHKMT2ANOD2NOD1
SCHEMBL14977477 0.84 DHODH (0.56) DHODHKMT2AGAASMN1; SMN2
SCHEMBL18825171 0.84 DHODH (0.78) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977788 0.83 DHODH (0.69) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14985285 0.82 DHODH (0.54) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977397 0.81 DHODH (0.71) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14985308 0.80 PKM (0.45) DHODHKMT2AGAASMN1; SMN2

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