SCHEMBL10332003

SCHEMBL10332003

CCCCC(O)(CN1C=NC=NC1)c1ccc(Cl)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 1/20 0.34
OGG1 O15527 1/20 0.32
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL29101228 0.79 MEN1 (0.35) MEN1ALDH1A1KMT2ACNR2OGG1
SCHEMBL3120739 0.78 MEN1 (0.35) MEN1ALDH1A1KMT2ACNR2OGG1
SCHEMBL3120732 0.77 MEN1 (0.35) MEN1ALDH1A1KMT2ACNR2OGG1
SCHEMBL10875973 0.76 TDP1 (0.42) MEN1ALDH1A1KMT2ACNR2CYP3A4
SCHEMBL1423791 0.73 CNR2 (0.37) MEN1ALDH1A1KMT2ACNR2OGG1
Hexaconazole SCHEMBL3019086 0.72 CYP3A4 (0.50) ALDH1A1KMT2ACYP3A4
SCHEMBL1423792 0.72 CYP27B1 (0.38) MEN1ALDH1A1KMT2ACNR2OGG1
Hexaconazole SCHEMBL3224781 0.72 CYP3A4 (0.50) ALDH1A1KMT2ACYP3A4
Hexaconazole SCHEMBL21992 0.72 CYP3A4 (0.50) ALDH1A1KMT2ACYP3A4
Hexaconazole SCHEMBL29368626 0.72 CYP3A4 (0.50) ALDH1A1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289321-B1 Fungicide mixtures based on triazoles BASF SE (DE) 2013-05-29 EP disclosed
EP-2289320-B1 Fungicide mixtures based on triazoles BASF SE (DE) 2012-12-19 EP disclosed
EP-2289324-B1 Fungicide mixtures based on triazoles BASF SE (DE) 2012-09-12 EP disclosed
EP-2289325-B1 Fungicide mixtures based on triazoles BASF SE (DE) 2012-09-12 EP disclosed
EP-2289323-B1 Fungicide mixtures based on triazoles BASF SE (DE) 2012-07-18 EP disclosed
EP-2289322-B1 Fungicide mixtures based on triazoles BASF SE (DE) 2012-07-18 EP disclosed
EP-2289323-A1 Fungicide mixtures based on triazoles BASF SE (DE) 2011-03-02 EP disclosed
EP-2289322-A1 Fungicide mixtures based on triazoles BASF SE (DE) 2011-03-02 EP disclosed
EP-2289324-A1 Fungicide mixtures based on triazoles BASF SE (DE) 2011-03-02 EP disclosed
EP-2289320-A1 Fungicide mixtures based on triazoles BASF SE (DE) 2011-03-02 EP disclosed
EP-2289325-A1 Fungicide mixtures based on triazoles BASF SE (DE) 2011-03-02 EP disclosed
EP-2289321-A1 Fungicide mixtures based on triazoles BASF SE (DE) 2011-03-02 EP disclosed
EP-2286665-A1 Fungicide mixtures based on triazoles BASF SE (DE) 2011-02-23 EP disclosed
EP-1782691-A2 Fungicidal mixtures based upon triazoles BASF AKTIENGESELLSCHAFT (DE) 2007-05-09 EP disclosed