SCHEMBL5206535

SCHEMBL5206535

O=C=Nc1cc(Cl)c(N=C=O)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CYP3A4 P08684 2/20 0.37
TSHR P16473 1/20 0.37
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 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
SCHEMBL1019709 0.83 MAPK1 (0.45) MAPK1TDP1GABRA1GABRB2CYP3A4
SCHEMBL7922006 0.83 MAPK1 (0.61) MAPK1TDP1GABRA1GABRB2CYP3A4
SCHEMBL11521713 0.80 MAPK1 (0.44) MAPK1TDP1GABRA1GABRB2CYP3A4
SCHEMBL14254774 0.79 MAPK1 (0.57) MAPK1TDP1GABRA1GABRB2CYP3A4
SCHEMBL6330610 0.79 MAPK1 (0.42) MAPK1TDP1GABRA1GABRB2
SCHEMBL7931082 0.79 MAPK1 (0.57) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL8840231 0.79 MAPK1 (0.57) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL1950823 0.79 MAPK1 (0.42) MAPK1TDP1GABRA1GABRB2
SCHEMBL11322087 0.79 GABRA1 (0.42) MAPK1TDP1GABRA1GABRB2CYP3A4
SCHEMBL8641955 0.78 MAPK1 (0.50) MAPK1TDP1GABRA1GABRB2CYP3A4

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-1490394-B1 METHOD AND APPARATUS FOR THE IDENTIFICATION AND QUALIFICATION OF BIOMOLECULES PERSEPTIVE BIOSYSTEMS INC (US) 2007-11-07 EP disclosed
US-7166441-B2 Method and apparatus for the identification and quantification of biomolecules PERSEPTIVE BIOSYSTEMS INC. (US) 2007-01-23 US disclosed
US-6787330-B1 USING POLYACRYLAMIDE GEL ELECTROPHORESIS (PAGE); PROTEOMICS; BLOT ANALYSIS UNIVERSITY OF GENEVA (CH) 2004-09-07 US disclosed
EP-1147414-B1 METHOD AND KIT FOR IDENTIFYING OR CHARACTERISING POLYPEPTIDES UNIV GENEVE (CH) 2004-06-09 EP disclosed
US-6632339-B1 Electroblotting separated polypeptides from electrophoresis gel through hydrophilic membrane with immobilized cleaving reagent so polypeptides are cleaved into fragments, collecting on hydrophobic member, identifying fragments UNIVERSITY OF GENEVA (CH) 2003-10-14 US disclosed
US-20030175844-A1 Method and apparatus for the identification and quantification of biomolecules APPLIED BIOSYSTEMS, LLC 2003-09-18 US disclosed
US-6221626-B1 HYDROPHILIC MEMBRANE SUITABLE FOR USE IN ELECTROBLOTTING OF POLYPEPTIDES SEPARATED ON A GEL, SAID MEMBRANE HAVING ONE POLYPEPTIDE-CLEAVING REAGENT IMMOBILIZED THEREON, WHEREIN SAID REAGENT GENERATES FRAGMENTS OF THE SEPARATED POLYPEPTIDE UNIVERSITY OF GENEVA 2001-04-24 US disclosed