SCHEMBL9751346

SCHEMBL9751346

O=C(O)c1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
TTR P02766 1/20 0.48
PPOX P50336 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MRGPRX4 Q96LA9 4/20 0.46
CCR1 P32246 1/20 0.42
CCR2 P41597 1/20 0.42
THRB P10828 2/20 0.42
TLR8 Q9NR97 4/20 0.40
THRA P10827 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
TLR7 Q9NYK1 4/20 0.39
FFAR1 O14842 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ACLY P53396 1/20 0.38

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
SCHEMBL9751305 0.95 MEN1 (0.47) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10667115 0.92 MEN1 (0.52) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9751312 0.90 MEN1 (0.41) MEN1TTRPPOXKMT2ATDP1
SCHEMBL8321859 0.89 MEN1 (0.46) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10809942 0.85 RAF1 (0.45) TLR8ALDH1A1TLR7
SCHEMBL9751309 0.85 TDP1 (0.70) MEN1TTRPPOXKMT2ATDP1
SCHEMBL8382590 0.84 MEN1 (0.47) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9751482 0.83 TLR7 (0.41) TLR8TLR7
SCHEMBL10670395 0.82 SCN9A (0.53)
SCHEMBL8320672 0.81 MEN1 (0.39) MEN1TTRPPOXKMT2ATDP1

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
US-4992089-A Pre- and postemergence IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-12 US disclosed
EP-0228788-B1 HERBICIDAL DERIVATIVES OF SUBSTITUTED BENZOYL-HYDRAZINIUM COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-12-27 EP disclosed
US-4778914-A FOR HALOGENATED DIPHENYL ETHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-18 US disclosed
EP-0122037-B1 SUBSTITUTED DIPHENYLETHER COMPOUNDS USEFUL AS HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-19 EP disclosed
EP-0228788-A1 Herbicidal derivatives of substituted benzoyl-hydrazinium compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-15 EP disclosed
EP-0122037-A1 Substituted diphenylether compounds useful as herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-10-17 EP disclosed
EP-0034402-B1 METHOD OF PREPARING FLUORINE-SUBSTITUTED DIPHENYL ETHER DERIVATIVES AND FLUORINE-SUBSTITUTED HALOGENO BENZENE DERIVATIVES FOR USE THEREIN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-29 EP disclosed
US-4388472-A Substituted diphenyl ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-14 US disclosed
US-4384135-A REACTING A SUBSTITUTED BENZOTRIFLUORIDE WITH A SUBSTITUTED PHENOL IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-17 US disclosed
EP-0023100-B1 HERBICIDAL COMPOSITIONS COMPRISING A DIPHENYL ETHER COMPOUND IN ADMIXTURE WITH ANOTHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-10 EP disclosed
EP-0034402-A2 Method of preparing fluorine-substituted diphenyl ether derivatives and fluorine-substituted halogeno benzene derivatives for use therein IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-26 EP disclosed
EP-0023100-A1 Herbicidal compositions comprising a diphenyl ether compound in admixture with another herbicide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 EP disclosed