SCHEMBL5790412

SCHEMBL5790412

CCOC(=O)C1CCc2nc[nH]c21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 3/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.37
PDK1 Q15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5792304 0.92 MAPT (0.46) MAPTMEN1KMT2ALMNAGAA
SCHEMBL8482518 0.75 PDK1 (0.49) KMT2AALDH1A1KDM4EPDK1
SCHEMBL8482514 0.72 PDK1 (0.46) KMT2AGAAALDH1A1KDM4EHSD17B10
SCHEMBL6954360 0.72 MEN1 (0.44) MAPTMEN1KMT2ALMNAGAA
SCHEMBL11923509 0.68 ADRA1A (0.35)
SCHEMBL23932135 0.68 KMT2A (0.43) MAPTMEN1KMT2ALMNAGAA
SCHEMBL183877 0.68 KMT2A (0.43) MAPTMEN1KMT2ALMNAGAA
SCHEMBL2877889 0.68 MAPT (0.47) MAPTMEN1KMT2AGAANPSR1
SCHEMBL1134463 0.68 ALDH1A1 (0.53) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL21831956 0.67 KDM4E (0.45) MAPTMEN1KMT2ALMNAGAA

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-2006005726-A2 HETEROCYCLIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2006-01-19 WO disclosed