SCHEMBL14977153

SCHEMBL14977153

O=C(NC1CCCc2c1cnn2-c1cccc(O)c1)c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.68
KMT2A Q03164 2/20 0.66
GAA P10253 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MEN1 O00255 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
SCHEMBL18825171 0.90 DHODH (0.78) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14985369 0.90 DHODH (0.67) DHODHKMT2AGAASMN1; SMN2MEN1
SCHEMBL14977397 0.89 DHODH (0.71) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977638 0.88 DHODH (0.67) DHODHKMT2AGAASMN1; SMN2MEN1
SCHEMBL14977794 0.84 DHODH (0.74) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977777 0.84 GAA (0.73) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977788 0.82 DHODH (0.69) DHODHKMT2AGAASMN1; SMN2MEN1
SCHEMBL14977772 0.81 DHODH (0.60) DHODHKMT2AGAASMN1; SMN2MEN1
SCHEMBL18851165 0.81 DHODH (1.00) DHODHKMT2AMEN1
SCHEMBL18825131 0.80 DHODH (1.00) 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