SCHEMBL14977794

SCHEMBL14977794

O=C(NC1CCCc2c1cnn2-c1ccccn1)c1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 18/20 0.74
GAA P10253 1/20 0.69
KMT2A Q03164 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69

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 0.89 DHODH (0.78) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL14977397 0.86 DHODH (0.71) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL18850702 0.85 DHODH (1.00) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL18825168 0.85 DHODH (1.00) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL18825164 0.85 DHODH (1.00) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL18825169 0.85 DHODH (1.00) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL18825131 0.85 DHODH (1.00) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL14977347 0.85 DHODH (0.69) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL14977153 0.84 DHODH (0.68) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL14977777 0.83 GAA (0.73) DHODHGAAKMT2ASMN1; 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 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