SCHEMBL13616739

SCHEMBL13616739

NCC(O)COC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9679186 0.89 MEN1 (0.39) MEN1KMT2AHTTKDM4C
SCHEMBL4444058 0.84 MEN1 (0.37) MEN1KMT2AHTTKDM4C
SCHEMBL13460299 0.83 MEN1 (0.36) MEN1KMT2AHTTKDM4C
SCHEMBL8973716 0.83 MEN1 (0.36) MEN1KMT2AHTTKDM4C
SCHEMBL10431159 0.83 MEN1 (0.36) MEN1KMT2AHTTKDM4C
SCHEMBL25289361 0.83 MEN1 (0.36) MEN1KMT2AHTTKDM4C
SCHEMBL25240815 0.83 MEN1 (0.36) MEN1KMT2AHTTKDM4C
SCHEMBL8741513 0.83 MEN1 (0.36) MEN1KMT2AHTTKDM4C
SCHEMBL8973374 0.83 MEN1 (0.36) MEN1KMT2AHTTKDM4C
SCHEMBL7430144 0.81 MEN1 (0.35) MEN1KMT2AHTTKDM4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615221-B2 Compositions and methods for treating cancer ONCOLOGIC, INC. (US) 2009-11-10 US disclosed
CN-100386326-C 1-hydroxymethyl imidazo [1, 2-a ] quinoxaline compound and application thereof INST OF TOXIC PHARMACOLOGY ACA (CN) 2008-05-07 CN disclosed
CN-1609105-A 1-hydroxymethyl imidazo [1, 2-alpha ] quinoxaline compound and application thereof INST OF TOXIC PHARMACOLOGY ACA (CN) 2005-04-27 CN disclosed