SCHEMBL14977638

SCHEMBL14977638

COc1cccc(-n2ncc3c2CCCC3NC(=O)c2ccccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.67
KMT2A Q03164 4/20 0.63
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 3/20 0.59

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
SCHEMBL14977788 0.91 DHODH (0.69) DHODHKMT2AGAASMN1; SMN2MEN1
SCHEMBL14977153 0.88 DHODH (0.68) DHODHKMT2AGAASMN1; SMN2MEN1
SCHEMBL18825171 0.88 DHODH (0.78) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14985369 0.87 DHODH (0.67) DHODHKMT2AGAASMN1; SMN2MEN1
SCHEMBL14977772 0.84 DHODH (0.60) DHODHKMT2AGAASMN1; SMN2MEN1
SCHEMBL14977397 0.83 DHODH (0.71) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977820 0.82 DHODH (0.66) DHODHKMT2AMEN1
SCHEMBL14977362 0.82 KMT2A (0.56) DHODHKMT2AMEN1
SCHEMBL14985285 0.82 DHODH (0.54) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977794 0.81 DHODH (0.74) 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 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