SCHEMBL10344873

SCHEMBL10344873

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1OCCF

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
TTR P02766 1/20 0.64
PPOX P50336 1/20 0.64
FFAR1 O14842 3/20 0.48
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PPARD Q03181 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 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
SCHEMBL10607104 0.93 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11740157 0.91 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8849807 0.90 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11094278 0.89 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL39004 0.88 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL29352272 0.88 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL8539841 0.88 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL30689708 0.87 TDP1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10540835 0.87 TDP1 (0.73) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL11018179 0.87 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192111-B1 ISO-UREAS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed
EP-0053679-B1 DIPHENYL ETHER, PREPARATION AND USE AS HERBICIDE BASF Aktiengesellschaft (DE) 1986-01-22 EP disclosed
EP-0049398-B1 4H-3,1-BENZOXAZIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-03-06 EP disclosed
EP-0053698-B1 5-AMINO-1-PHENYLPYRAZOLE-4-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, HERBICIDES CONTAINING THEM AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-01-09 EP disclosed
EP-0115808-A1 Cyclohexan-1,3-dione derivatives, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1984-08-15 EP disclosed
EP-0046503-B1 HERBICIDAL AGENTS ON THE THE BASIS OF CYCLOHEXANE-1,3-DIONE DERIVATIVES AND 3,6-DICHLORO-2-PICOLINIC-ACID DERIVATIVES BASF Aktiengesellschaft (DE) 1984-06-13 EP disclosed
EP-0039426-B1 THIATRIAZINE DIOXIDES AND HERBICIDAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-01-18 EP disclosed
EP-0032242-B1 4H-3,1-BENZOXAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN INHIBITING THE GROWTH OF UNWANTED PLANTS BASF Aktiengesellschaft (DE) 1983-12-14 EP disclosed
EP-0084665-A1 Thiadiazole derivatives, process for their preparation, and their use in combatting unwanted plant growth BASF Aktiengesellschaft (DE) 1983-08-03 EP disclosed
EP-0035712-B1 N-ARYL(THIOL) CARBAMATES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATING UNDESIRED PLANT GROWTH BASF Aktiengesellschaft (DE) 1983-02-16 EP disclosed
EP-0053698-A1 5-Amino-1-phenylpyrazole-4-carboxylic acids, process for their preparation, herbicides containing them and their use as herbicides BASF Aktiengesellschaft (DE) 1982-06-16 EP disclosed
EP-0049398-A1 4H-3,1-Benzoxazin derivatives, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1982-04-14 EP disclosed
EP-0046503-A1 Herbicidal agents on the the basis of cyclohexane-1,3-dione derivatives and 3,6-dichloro-2-picolinic-acid derivatives BASF Aktiengesellschaft (DE) 1982-03-03 EP disclosed
EP-0035712-A1 N-aryl(thiol) carbamates, process for their preparation and their use in combating undesired plant growth BASF Aktiengesellschaft (DE) 1981-09-16 EP disclosed
EP-0032242-A1 4H-3,1-benzoxazine derivatives, process for their preparation and their use in inhibiting the growth of unwanted plants BASF Aktiengesellschaft (DE) 1981-07-22 EP disclosed