SCHEMBL7825017

SCHEMBL7825017

CC(=O)c1c(C)nn2ccn(C)c12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL953097 0.67 ALDH1A1 (0.42) ALDH1A1KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL5848990 0.67 ALDH1A1 (0.51) ALDH1A1KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL7373297 0.66 POLB (0.39) ALDH1A1KMT2AHSD17B10SMN1; SMN2
SCHEMBL20669696 0.66 PIK3CG (0.51) ALDH1A1KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL683558 0.65 THRB (0.44) ALDH1A1KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL335081 0.65 KDM4E (0.60) ALDH1A1KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL683499 0.64 POLB (0.38) ALDH1A1KMT2AHSD17B10
SCHEMBL7427855 0.63 ALDH1A1 (0.36) ALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL1613433 0.63 HSD17B10 (0.36) ALDH1A1KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL17290828 0.63 KDM4E (0.44) ALDH1A1KMT2AHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433855-B1 N- and O-substituted aminophenol derivatives, intermediates for their preparation, their use as hydrolase substrates, a corresponding assay and diagnostic agents ROCHE DIAGNOSTICS GMBH (DE) 2001-03-07 EP disclosed
EP-0433854-B1 3-Aminopyrazolo heterocycles, their use for the determination of hydrogen peroxide, hydrogen peroxide forming systems, peroxidase, peroxidant active substances or electron rich aromatic compounds, corresponding determination process and agents BOEHRINGER MANNHEIM GMBH (DE) 1997-06-18 EP disclosed
US-5457200-A Oxidative coupling reactions for determination of hydrogen peroxide BOEHRINGER MANNHEIM (DE) 1995-10-10 US disclosed
US-5334505-A For colorimetric determination of hydrolases BOEHRINGER MANNHEIM GMBH (DE) 1994-08-02 US disclosed
US-5234818-A Detecting hydrogen peroxide, peroxidase by oxidative coupling with electron-rich aromatic compound BOEHRINGER MANNHEIM GMBH (DE) 1993-08-10 US disclosed
EP-0433854-A2 3-Aminopyrazolo heterocycles, their use for the determination of hydrogen peroxide, hydrogen peroxide forming systems, peroxidase, peroxidant active substances or electron rich aromatic compounds, corresponding determination process and agents Roche Diagnostics GmbH (DE) 1991-06-26 EP disclosed
EP-0433855-A2 N- and O-substituted aminophenol derivatives, intermediates for their preparation, their use as hydrolase substrates, a corresponding assay and diagnostic agents Roche Diagnostics GmbH (DE) 1991-06-26 EP disclosed