SCHEMBL14977448

SCHEMBL14977448

O=C1N[C@H]2[C@H](CS[C@H]2CCCCCNCCOCCOCCOc2ccc(-n3ncc4c3CCCC4NC(=O)c3ccccn3)cc2)N1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
PDE6D O43924 1/20 0.38

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
SCHEMBL14985308 0.92 PKM (0.45) DHODHKMT2AGAASMN1; SMN2PDE6D
SCHEMBL14977653 0.78 DHODH (0.60) DHODHKMT2AGAASMN1; SMN2NOD2
SCHEMBL14985324 0.78 DHODH (0.61) DHODHKMT2AGAASMN1; SMN2NOD2
SCHEMBL14985323 0.75 DHODH (0.55) DHODHKMT2AGAASMN1; SMN2NOD2
SCHEMBL14977561 0.74 DHODH (0.42) DHODHKMT2AGAASMN1; SMN2NOD2
SCHEMBL14977772 0.72 DHODH (0.60) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977346 0.71 DHODH (0.44) DHODHKMT2AGAASMN1; SMN2NOD2
SCHEMBL18825171 0.71 DHODH (0.78) DHODHKMT2AGAASMN1; SMN2
SCHEMBL2359254 0.67 HLCS (0.65) KMT2A
SCHEMBL13328914 0.67 GBA1 (0.56) PDE6D

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