SCHEMBL27747640

SCHEMBL27747640

Clc1ncc(CCBr)cc1I

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL487331 0.84 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL27764275 0.80 ALDH1A1 (0.35) TDP1CYP11B1CYP11B2
SCHEMBL27649634 0.78 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL27966472 0.77 TLR7 (0.32) TDP1CYP11B1CYP11B2
SCHEMBL27747695 0.71 CHRNB2 (0.34) TDP1
SCHEMBL27743531 0.70 PIN1 (0.40) TDP1
SCHEMBL1923566 0.70 TDP1 (0.39) TDP1
SCHEMBL30219845 0.69
SCHEMBL487372 0.69
SCHEMBL23683504 0.68

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
CN-101460502-B Bicyclic enamino(thio)carbonyl compounds BAYER CROPSCIENCE AG 2013-07-17 CN disclosed
CN-101454316-B Substituted enaminocarbonyl compounds for use as pesticides BAYER CROPSCIENCE AG 2012-08-15 CN disclosed
CN-102336748-A Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG 2012-02-01 CN disclosed
CN-102321081-A Be used as the preparation method and the midbody of the substituted alkene aminocarbonyl compound of sterilant BAYER CROPSCIENCE AG 2012-01-18 CN disclosed
CN-101415682-B Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2011-12-28 CN disclosed
CN-101516848-B N'-cyano-N-alkyl halide imide amide derivatives BAYER CROPSCIENCE AG 2011-09-28 CN disclosed
CN-101516848-A N'-cyano-N-alkyl halide imide amide derivatives BAYER CROPSCIENCE AG (DE) 2009-08-26 CN disclosed
CN-101460502-A Bicyclic enamino(thio)carbonyl compounds BAYER CROPSCIENCE AG (DE) 2009-06-17 CN disclosed
CN-101454316-A Substituted enaminocarbonyl compounds for use as pesticides BAYER CROPSCIENCE AG (DE) 2009-06-10 CN disclosed
CN-101415682-A Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2009-04-22 CN disclosed