SCHEMBL12415468

SCHEMBL12415468

COC(=O)CCc1cccc2nc3ccccc3nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NQO2 P16083 2/20 0.45
KMT2A Q03164 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
RPS6KB2 Q9UBS0 1/20 0.43
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL12377717 0.85 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL12415465 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL28022240 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10438855 0.79 CYP4F2 (0.58) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL17199096 0.76 CYP1A2 (0.63) KDM4EALDH1A1KMT2AMAPTCYP1A2
SCHEMBL24276933 0.76 HDAC6 (0.46) ALDH1A1SMN1; SMN2ALOX15MAPTNPSR1
SCHEMBL30498970 0.75 CDYL (0.60) KDM4EALDH1A1HPGDNQO2MTNR1A
SCHEMBL6615856 0.75 CDYL (0.60) KDM4EALDH1A1HPGDNQO2MTNR1A
SCHEMBL31536704 0.75 MAPT (0.51) ALDH1A1SMN1; SMN2ALOX15RXFP1KMT2A
SCHEMBL6274670 0.75 MAPT (0.51) ALDH1A1SMN1; SMN2ALOX15RXFP1KMT2A

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-8008037-B2 Matrix composition with alkylphenazine quaternary salt and a nitrosoaniline ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2011-08-30 US disclosed
WO-2009118157-A1 BIOSENSOR WITH IMPROVED ANALYTE SPECIFICITY ROCHE DIAGNOSTICS GMBH (DE) 2009-10-01 WO disclosed
US-20090246808-A1 BIOSENSOR WITH IMPROVED ANALYTE SPECIFICITY ROCHE DIABETES CARE, INC. 2009-10-01 US disclosed