SCHEMBL2925692

SCHEMBL2925692

CCc1ccc(C(=O)O)c(N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.50
GABRD O14764 5/20 0.50
GABRA1 P14867 5/20 0.50
GABRB1 P18505 5/20 0.50
GABRG2 P18507 5/20 0.50
GABRB3 P28472 5/20 0.50
GABRA5 P31644 5/20 0.50
GABRA3 P34903 5/20 0.50
GABRA2 P47869 5/20 0.50
GABRB2 P47870 5/20 0.50
GABRA4 P48169 5/20 0.50
GABRE P78334 5/20 0.50
GABRA6 Q16445 5/20 0.50
GABRG1 Q8N1C3 5/20 0.50
GABRG3 Q99928 5/20 0.50
GABRQ Q9UN88 5/20 0.50
CASP6 P55212 2/20 0.44
G6PD P11413 1/20 0.44
CASP7 P55210 1/20 0.44
CYP1A2 P05177 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
SCHEMBL6859142 0.91 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7538102 0.84 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5169474 0.84 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10988751 0.84 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29144911 0.82 KAT8 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
Propylamine SCHEMBL10519946 0.82 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL690406 0.82 CASP7 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29792992 0.82 CASP7 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL808482 0.82 G6PD (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30762619 0.82 G6PD (0.57) GABRPGABRDGABRA1GABRB1GABRG2

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 9 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
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
EP-0356868-A2 A method of treating a tooth with adhesive dental cavity basing composition DENTSPLY INTERNATIONAL, INC. (US) 1990-03-07 EP disclosed