SCHEMBL2928246

SCHEMBL2928246

CC(C)c1c(C(=O)O)ccc(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
KMT2A Q03164 5/20 0.42
GFER P55789 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
THRB P10828 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
RECQL P46063 2/20 0.41
USP2 O75604 2/20 0.41
PKM P14618 2/20 0.41
MCL1 Q07820 2/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41
GLA P06280 1/20 0.40
KEAP1 Q14145 1/20 0.40
ALDH1A1 P00352 8/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 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
SCHEMBL2922690 0.85 KDM4E (0.42) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL12494347 0.83 KDM4E (0.43) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL16176921 0.82 KDM4E (0.38) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL1950385 0.81 CYP1A2 (0.50) KDM4EKMT2AMAPTMEN1TDP1
SCHEMBL5432823 0.77 MMP2 (0.55) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL999925 0.74 KDM4E (0.52) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL27855771 0.74 KDM4E (0.44) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL16176806 0.74 ALDH1A1 (0.41) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL939779 0.74 CD44 (0.35) THRBTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL555823 0.74 KDM4E (0.48) KDM4EKMT2AGFERRXFP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6805718-B2 USING AROMATIC AMINE, NAPHTHOL OR AMINONAPHTHALENE AND ENZYME NOVOZYMES A/S (DK) 2004-10-19 US claimed
US-6296672-B1 PEROXIDASE, OXIDOREDUCTASE, LACCASE NOVOZYMES A/S PATENTS (DK) 2001-10-02 US claimed
EP-1303631-B9 BIOTRANSFORMATION OF BIOLOGICALLY ACTIVE COMPOUNDS MADE OF VARIOUS CLASSES OF CHEMICAL SUBSTANCES BY MEANS OF LACCASE AND MANGANESE PEROXIDASE ENZYMES DRITTE PATENTPORTFOLIO BETEILI (DE) 2010-09-08 EP disclosed
EP-1303631-B1 BIOTRANSFORMATION OF BIOLOGICALLY ACTIVE COMPOUNDS MADE OF VARIOUS CLASSES OF CHEMICAL SUBSTANCES BY MEANS OF LACCASE AND MANGANESE PEROXIDASE ENZYMES DRITTE PATENTPORTFOLIO BETEILI (DE) 2010-05-26 EP disclosed
US-6805718-B2 USING AROMATIC AMINE, NAPHTHOL OR AMINONAPHTHALENE AND ENZYME NOVOZYMES A/S (DK) 2004-10-19 US disclosed
CN-1420954-A Enzymatic method for textile dyeing NOVOZYMES AS (DK) 2003-05-28 CN disclosed
EP-1303631-A2 BIOTRANSFORMATION OF BIOLOGICALLY ACTIVE COMPOUNDS MADE OF VARIOUS CLASSES OF CHEMICAL SUBSTANCES BY MEANS OF LACCASE AND MANGANESE PEROXIDASE ENZYMES Schauer, Frieder (DE) 2003-04-23 EP disclosed
WO-2001098518-A2 BIOTRANSFORMATION OF BIOLOGICALLY ACTIVE COMPOUNDS MADE OF VARIOUS CLASSES OF CHEMICAL SUBSTANCES BY MEANS OF LACCASE AND MANGANESE PEROXIDASE ENZYMES GANOMYCIN GMBH (DE) 2001-12-27 WO disclosed
US-6296672-B1 PEROXIDASE, OXIDOREDUCTASE, LACCASE NOVOZYMES A/S PATENTS (DK) 2001-10-02 US disclosed
US-6036729-A DYEING, SOAKING MATERIAL WITH NAPHTHOLS, HYDROGEN PEROXIDE AND ENZYMES OF PEROXIDASE OR OXIDASE NOVO NORDISK A/S (DK) 2000-03-14 US disclosed