SCHEMBL13439737

SCHEMBL13439737

CC(NC(=O)c1snc(Cl)c1Cl)c1cccc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
THRB P10828 1/20 0.43
ROCK1 Q13464 8/20 0.43
ROCK2 O75116 7/20 0.43
POLB P06746 1/20 0.43
PRKG1 Q13976 3/20 0.43
CHEK1 O14757 2/20 0.43
PRKACA P17612 2/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
PRKX P51817 2/20 0.43
PRKCQ Q04759 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
RPS6KA5 O75582 1/20 0.43
PRKCG P05129 1/20 0.43
CDK1 P06493 1/20 0.43

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
SCHEMBL13524444 0.82 ALDH1A1 (0.59) MEN1KMT2ATHRBLMNAPTGER4
SCHEMBL7978191 0.79 THRB (0.51) MEN1KMT2ATHRBROCK1ROCK2
SCHEMBL13439656 0.79 ALDH1A1 (0.55) MEN1KMT2ATHRBROCK1ROCK2
SCHEMBL13406703 0.76 FDFT1 (0.52) HTTSMN1; SMN2
SCHEMBL14382722 0.74 ALDH1A1 (0.51) MEN1KMT2ATHRBALDH1A1SMN1; SMN2
SCHEMBL8222905 0.72 LMNA (0.48) MEN1KMT2ACYP2D6ACACBLMNA
SCHEMBL13524538 0.70 LTA4H (0.53) MEN1KMT2APOLBCYP2D6LMNA
SCHEMBL11833855 0.69 PTGS1 (0.80) MEN1KMT2ACYP3A4CYP2D6MAPK1
SCHEMBL10338889 0.69 UTS2R (0.64) MEN1KMT2AROCK1ROCK2PRKG1
SCHEMBL5315212 0.69 PTGS1 (0.51) MEN1KMT2ACYP2D6LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696355-B2 Isothiazole carboxylic acid amides and the application thereof in order to protect plants BAYER AKTIENGESELLSCHAFT (DE) 2010-04-13 US disclosed
EP-2145540-A1 Isothiazol carboxylic acid amides and their use in the protection of plants Bayer CropScience AG (DE) 2010-01-20 EP disclosed
EP-2145539-A1 Isothiazolecarbamide derivatives for crop protection Bayer CropScience AG (DE) 2010-01-20 EP disclosed
EP-2132988-A1 Isothiazole carboxylic acid amides and their use in the protection of plants Bayer CropScience AG (DE) 2009-12-16 EP disclosed