SCHEMBL8570570

SCHEMBL8570570

Cn1ncc(C(=O)c2ccc(Cl)cc2Cl)c1OCC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
HTT P42858 2/20 0.43
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
AGTR1 P30556 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL148140 0.85 NPC1 (0.48) KDM4ETDP1HTTCYP2C9CYP1A2
SCHEMBL10727096 0.84 CYP1A2 (0.44) KDM4ETDP1HTTCYP2C9CYP1A2
SCHEMBL22945861 0.82 MAPT (0.35) CYP2C9CYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL54326 0.82 ABCB1 (0.45) KDM4ETDP1HTTCYP2C9CYP1A2
SCHEMBL4889275 0.82 ABCB1 (0.45) KDM4ETDP1HTTCYP2C9CYP1A2
SCHEMBL10958570 0.82 PRMT5 (0.43) KDM4ETDP1HTTCYP2C9CYP1A2
SCHEMBL10958795 0.80 PAK1 (0.44) KDM4ETDP1CYP2C9CYP1A2CYP2C19
SCHEMBL11118281 0.80 HPGD (0.49) KDM4ETDP1HTTALDH1A1NPSR1
SCHEMBL10961015 0.80 P2RX7 (0.42) KDM4ETDP1HTTCYP2C9CYP1A2
SCHEMBL10960980 0.79 TDP1 (0.44) KDM4ETDP1HTTCYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548593-B1 Tetrahydrofuran derivative and herbicide containing the same as effective ingredient MITSUBISHI CHEM CORP (JP) 1998-04-22 EP disclosed
US-5405828-A Selective pre- and postemergence herbicides MITSUBISHI KASEI CORPORATION (JP) 1995-04-11 US disclosed
EP-0281110-B1 N-[2-(pyridyl)propyl]-N-substituted sulfonamide, herbicide containing the same as an active ingredient and intermediate thereof MITSUBISHI CHEM IND (JP) 1994-09-07 EP disclosed
US-5324709-A Safety on crops MITSUBISHI KASEI CORPORATION (JP) 1994-06-28 US disclosed
EP-0548593-A1 Tetrahydrofuran derivative and herbicide containing the same as effective ingredient Mitsubishi Chemical Corporation (JP) 1993-06-30 EP disclosed
EP-0326170-B1 SULFONAMIDE AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUBISHI KASEI CORPORATION (JP) 1991-12-11 EP disclosed
US-4971620-A APPLYING TO FIELDS TO KILL WEEDS MITSUBISHI KASEI CORPORATION (JP) 1990-11-20 US disclosed
US-4960897-A Herbicide containing 1-(halogenomethyl)-vinyl pyridines MITSUBISHI KASEI CORPORATION (JP) 1990-10-02 US disclosed
EP-0326170-A1 Sulfonamide and herbicide containing the same as active ingredient MITSUBISHI KASEI CORPORATION (JP) 1989-08-02 EP disclosed
EP-0281110-A2 N-[2-(pyridyl)propyl]-N-substituted sulfonamide, herbicide containing the same as an active ingredient and intermediate thereof MITSUBISHI KASEI CORPORATION (JP) 1988-09-07 EP disclosed
US-4746359-A Hydroxyacetic acid amide derivatives, and herbicidal compositions containing them TOYO SODA MANUFACTURING CO., LTD. (JP) 1988-05-24 US disclosed
EP-0246600-A2 Hydroxyacetic acid amide derivatives, process for their production and herbicidal compositions containing them Tosoh Corporation (JP) 1987-11-25 EP disclosed