SCHEMBL14977475

SCHEMBL14977475

O=C(O)NCCOCCOCCOCCn1ncc2c1CCCC2NCc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.40
RECQL P46063 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL14977477 0.85 DHODH (0.56) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977651 0.85 DHODH (0.47) DHODHRECQLKDM4EKMT2A
SCHEMBL14977770 0.83 DHODH (0.47) DHODHRECQLKDM4EKMT2A
SCHEMBL14985302 0.75 DHODH (0.52) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977320 0.71 LMNA (0.44) DHODHRECQLKDM4EKMT2A
SCHEMBL14977653 0.70 DHODH (0.60) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977772 0.69 DHODH (0.60) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14976930 0.68 DHODH (0.64) DHODHKMT2AGAASMN1; SMN2
SCHEMBL702944 0.63 DHODH (0.43) DHODHGAA
SCHEMBL4572417 0.62 DHODH (0.44) DHODHGAA

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