SCHEMBL14977320

SCHEMBL14977320

CC(C)(C)OC(=O)n1ncc2c1CCCC2NCc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
DHODH Q02127 7/20 0.41
ELANE P08246 1/20 0.41
CXCR4 P61073 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR119 Q8TDV5 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
SCHEMBL14977321 0.82 DHODH (0.62) DHODHKMT2A
SCHEMBL2208532 0.73 ELANE (0.53) ELANEKMT2AGPR119
SCHEMBL12510895 0.73 ELANE (0.53) THRBKDM4ERECQLELANEGPR119
SCHEMBL2207579 0.73 ELANE (0.52) ELANEKMT2AGPR119
SCHEMBL14977475 0.71 DHODH (0.40) KDM4ERECQLDHODHKMT2A
SCHEMBL14977651 0.69 DHODH (0.47) KDM4ERECQLDHODHKMT2A
SCHEMBL4066257 0.68 KMT2A (0.46) LMNARECQLKMT2A
SCHEMBL4066261 0.68 KMT2A (0.46) LMNARECQLKMT2A
SCHEMBL4066265 0.68 KMT2A (0.46) LMNARECQLKMT2A
SCHEMBL22594810 0.68 KDM4E (0.59) LMNATHRBKDM4EGPR119

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