SCHEMBL9015996

SCHEMBL9015996

CN1CCCc2cccc(N=O)c21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.50
CES1 P23141 2/20 0.41
HTR2C P28335 2/20 0.37
ALDH1A1 P00352 8/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
NOTUM Q6P988 2/20 0.35
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HTT P42858 1/20 0.34
HTR2B P41595 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13709223 0.80 HRH3 (0.48) ALOX12CES1HTR2CALDH1A1MEN1
SCHEMBL13709189 0.78 ALDH1A1 (0.43) ALOX12CES1ALDH1A1MEN1KMT2A
SCHEMBL9015889 0.77 ALOX12 (0.41) ALOX12CES1ALDH1A1MEN1KMT2A
SCHEMBL2625788 0.75 ALOX12 (0.60) ALOX12CES1HTR2CALDH1A1MEN1
SCHEMBL24358931 0.74 ALOX12 (0.42) ALOX12CES1HTR2CALDH1A1MEN1
SCHEMBL11837962 0.74 RAB9A (0.47) ALOX12CES1HTR2CALDH1A1MEN1
SCHEMBL20348492 0.74 ALOX12 (0.42) ALOX12CES1HTR2CALDH1A1MEN1
SCHEMBL3312853 0.74 CES1 (0.44) ALOX12CES1HTR2CALDH1A1MEN1
SCHEMBL2625802 0.74 NOTUM (0.50) ALOX12CES1HTR2CALDH1A1MEN1
SCHEMBL24308956 0.73 ALDH1A1 (0.47) ALOX12CES1HTR2CALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441222-B1 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds BOEHRINGER MANNHEIM GMBH (DE) 1996-12-18 EP disclosed
EP-0441222-A2 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed