SCHEMBL13439656

SCHEMBL13439656

CC(NC(=O)c1snc(Cl)c1Cl)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
THRB P10828 1/20 0.51
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
PRCP P42785 2/20 0.45
CLK1 P49759 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
USP36 Q9P275 1/20 0.43
PDE2A O00408 1/20 0.42
INPPL1 O15357 1/20 0.42
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
CSF1R P07333 1/20 0.40

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 0.96 ALDH1A1 (0.59) ALDH1A1THRBHPGDSMN1; SMN2GAA
SCHEMBL14382722 0.87 ALDH1A1 (0.51) ALDH1A1THRBHPGDSMN1; SMN2GAA
SCHEMBL7978191 0.85 THRB (0.51) ALDH1A1THRBHPGDMEN1KMT2A
SCHEMBL13439737 0.79 MEN1 (0.44) ALDH1A1THRBSMN1; SMN2MEN1KMT2A
SCHEMBL3109453 0.72 ROCK1 (0.75) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3571411 0.72 RAB9A (0.54) HPGDSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL13406702 0.72 MCHR1 (0.54) SMN1; SMN2GAAMEN1KMT2ACYP1A2
SCHEMBL3031481 0.71 CYP1A2 (0.58) ALDH1A1SMN1; SMN2PRCPMEN1KMT2A
SCHEMBL7067333 0.70 CHRM4 (0.36) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7067885 0.70 EGLN1 (0.44) HPGDSMN1; SMN2GAALMNANPSR1

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