SCHEMBL8322116

SCHEMBL8322116

CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)C1=NC=C[N]1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.54
CRHR1 P34998 6/20 0.39
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 3/20 0.33
TSPO P30536 1/20 0.32

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
SCHEMBL28427829 0.79 AHR (0.61) AHRCRHR1KDM4ETDP1ALDH1A1
SCHEMBL29450705 0.77 AHR (0.60) AHRCRHR1KDM4ETDP1ALDH1A1
SCHEMBL5082576 0.77 AHR (0.57) AHRCRHR1KDM4ETDP1ALDH1A1
SCHEMBL10876129 0.77 AHR (0.54) AHRCRHR1KDM4ETDP1ALDH1A1
SCHEMBL10874736 0.77 AHR (0.57) AHRCRHR1KDM4ETDP1ALDH1A1
SCHEMBL11201887 0.76 AHR (0.59) AHRCRHR1KDM4ETDP1ALDH1A1
SCHEMBL10669728 0.76 AHR (0.59) AHRCRHR1KDM4ETDP1ALDH1A1
SCHEMBL9324514 0.75 AHR (0.55) AHRCRHR1KDM4ETDP1ALDH1A1
SCHEMBL10872947 0.75 AHR (0.55) AHRCRHR1KDM4ETDP1ALDH1A1
SCHEMBL10873189 0.74 AHR (0.54) AHRCRHR1KDM4ETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5951994-A COMPRISING A PESTICIDE OR FUNGICIDE AND AN ADJUVANT E.G. LIQUID ETHYLENE OXIDE ADDUCTS, A PASTY POLYOXYETHYLENE GLYCOL MODIFIED WITH LANOLIN OR BEESWAX OR A SOLID POLYOXYETHYLENE GLYCOL OR CELLULOSE; NONTOXIC; LOW DOSAGE NIHON BAYER AGROCHEM K. K. (JP) 1999-09-14 US claimed
US-5951994-A COMPRISING A PESTICIDE OR FUNGICIDE AND AN ADJUVANT E.G. LIQUID ETHYLENE OXIDE ADDUCTS, A PASTY POLYOXYETHYLENE GLYCOL MODIFIED WITH LANOLIN OR BEESWAX OR A SOLID POLYOXYETHYLENE GLYCOL OR CELLULOSE; NONTOXIC; LOW DOSAGE NIHON BAYER AGROCHEM K. K. (JP) 1999-09-14 US disclosed
US-5883045-A APPLYING AGROCHEMICALS TO PLANTS BY ATTACHING TO THE SURFACE OF THE PLANTS TABLETS AT LEAST ONE AGROCHEMICALLY ACTIVE COMPOUND AND AT LEAST ONE ADJUVANT NIHON BAYER AGROCHEM K.K. (JP) 1999-03-16 US disclosed