SCHEMBL10784996

SCHEMBL10784996

COC(=S)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.77
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ TTR P02766 1/20 0.53
▸ PPOX P50336 1/20 0.53
▸ PDE7A Q13946 2/20 0.46
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL10785919 0.88 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11706585 0.88 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
Bifenox SCHEMBL30862569 0.87 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Bifenox SCHEMBL8541647 0.87 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Bifenox SCHEMBL38816 0.87 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10789829 0.87 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Bifenox SCHEMBL28419037 0.86 TDP1 (0.98) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11709233 0.86 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10784192 0.86 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9546892 0.84 TDP1 (0.55) TDP1MEN1KMT2ATTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4015975-A HERBICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-04-05 — — US claimed
US-4681622-A 2-NITRO-5-(SUBSTITUTED-PHENOXY) BENZOIC ACIDS RHONE-POULENC AGROCHIMIE (FR) 1987-07-21 — — US disclosed
US-RE32243-E Esters of substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof RHONE-POULENC AGROCHIMIE (FR) 1986-09-09 — — US disclosed
US-4606758-A Substituted phenoxybenzoic acids and derivative thereof as herbicides RHONE-POULENC AGROCHIMIE (FR) 1986-08-19 — — US disclosed
US-RE32216-E Salts of substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof RHONE-POULENC AGROCHIMIE (FR) 1986-07-29 — — US disclosed
US-RE32215-E Substituted phenoxybenzoic acids compositions of the same and herbicidal use thereof RHONE-POULENC AGROCHIMIE (FR) 1986-07-22 — — US disclosed
US-4164409-A Substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof MOBIL OIL CORP. (US) 1979-08-14 — — US disclosed
US-4164410-A Esters of substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof MOBIL OIL CORP. (US) 1979-08-14 — — US disclosed
US-4164408-A Salts of substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof MOBIL OIL CORP. (US) 1979-08-14 — — US disclosed
US-4015975-A HERBICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-04-05 — — US disclosed
US-3953489-A HERBICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-04-27 — — US disclosed
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