SCHEMBL12377717

SCHEMBL12377717

COC(=O)Cc1cccc2nc3ccccc3nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 5/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NQO2 P16083 1/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RPS6KB2 Q9UBS0 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL12415468 0.85 KDM4E (0.56) ALDH1A1HSD17B10HPGDALOX15MAPK1
SCHEMBL2291662 0.80 ALDH1A1 (0.56) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL1712335 0.80 MTNR1B (0.42) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL12377718 0.79 KDM4E (0.44) ALDH1A1HSD17B10HPGDALOX15MAPK1
SCHEMBL10809062 0.79 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ESMN1; SMN2NQO2
SCHEMBL1554320 0.77 KDM4E (0.53) ALDH1A1HSD17B10HPGDMAPTKDM4E
SCHEMBL28785628 0.76 KDM4E (0.57) ALDH1A1HSD17B10HPGDALOX15MAPK1
SCHEMBL28495794 0.76 NQO2 (0.57) ALDH1A1HSD17B10HPGDALOX15MAPK1
SCHEMBL3414003 0.76 NQO2 (0.50) ALDH1A1MAPK1MAPTKDM4ENQO2
SCHEMBL24822355 0.75 HDAC6 (0.49) ALDH1A1HSD17B10HPGDMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8535511-B2 Methods for electrochemical analysis using matrix compositions with alkylphenazine quaternary salt and a nitrosoaniline ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-09-17 US disclosed
US-8535511-B2 Methods for electrochemical analysis using matrix compositions with alkylphenazine quaternary salt and a nitrosoaniline ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-09-17 US disclosed
US-8008037-B2 Matrix composition with alkylphenazine quaternary salt and a nitrosoaniline ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2011-08-30 US disclosed
US-20090246808-A1 BIOSENSOR WITH IMPROVED ANALYTE SPECIFICITY ROCHE DIABETES CARE, INC. 2009-10-01 US disclosed