SCHEMBL3443182

SCHEMBL3443182

O=C=Nc1ccc2ccc(N=C=O)c(N=C=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.49
TRPA1 O75762 1/20 0.49
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.35
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL3441854 0.88 CYP3A4 (0.47) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL995429 0.81 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29642695 0.79 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL662710 0.79 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL1829138 0.79 CYP3A4 (0.44) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29500990 0.78 TDP1 (0.41) CYP3A4TDP1MAPK1TSHRALDH1A1
SCHEMBL38584 0.78 TDP1 (0.41) CYP3A4TDP1MAPK1TSHRALDH1A1
SCHEMBL48435 0.77 ALDH1A1 (0.36) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL542827 0.76 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL9231657 0.75 CYP3A4 (0.45) CYP3A4TRPA1TDP1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250319-A1 HYDROCARBON-ADSORBING POROUS PAVEMENT STRUCTURE Reynolds Consumer Products, Inc. (US) 2010-11-17 EP disclosed
EP-2162582-A2 AQUEOUS FORMULATIONS AND THE USE THEREOF FOR COLORING OR COATING SUBSTRATES BASF SE (DE) 2010-03-17 EP disclosed
EP-2152956-A1 METHOD FOR TREATING SURFACES Basf Se (DE) 2010-02-17 EP disclosed
WO-2009100111-A1 HYDROCARBON-ADSORBING POROUS PAVEMENT STRUCTURE REYNOLDS CONSUMER PRODUCTS, INC. (US) 2009-08-13 WO disclosed
EP-2084321-A1 METHOD FOR THE TREATMENT OF SUBSTRATES BASF SE (DE) 2009-08-05 EP disclosed
EP-2015730-A1 METHOD FOR SOLUBILISING HYDROPHOBIC ACTIVE SUBSTANCES IN AN AQUEOUS MEDIUM BASF SE (DE) 2009-01-21 EP disclosed
WO-2009003865-A2 AQUEOUS FORMULATIONS AND THE USE THEREOF FOR COLORING OR COATING SUBSTRATES BASF SE (DE) 2009-01-08 WO disclosed
WO-2008142080-A1 METHOD FOR TREATING SURFACES BASF SE (DE) 2008-11-27 WO disclosed
EP-1984555-A1 PROCESS FOR TREATING SUBSTRATES BASF SE (DE) 2008-10-29 EP disclosed
EP-1984556-A1 PROCESS FOR TREATING SUBSTRATES BASF SE (DE) 2008-10-29 EP disclosed
WO-2008049838-A1 METHOD FOR THE TREATMENT OF SUBSTRATES BASF SE (DE) 2008-05-02 WO disclosed
WO-2007125041-A1 HYPERBRANCHED POLYESTERS WITH A LOW ACID NUMBER AND USE THEREOF BASF SE (DE) 2007-11-08 WO disclosed
WO-2007125028-A1 METHOD FOR SOLUBILISING HYDROPHOBIC ACTIVE SUBSTANCES IN AN AQUEOUS MEDIUM BASF SE (DE) 2007-11-08 WO disclosed
WO-2007090739-A1 PROCESS FOR TREATING SUBSTRATES BASF SE (DE) 2007-08-16 WO disclosed
WO-2007090735-A1 PROCESS FOR TREATING SUBSTRATES BASF SE (DE) 2007-08-16 WO disclosed