SCHEMBL11020633

SCHEMBL11020633

CS(=O)(=O)NOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ TTR P02766 1/20 0.69
▸ PPOX P50336 1/20 0.69
▸ PYGL P06737 1/20 0.43
▸ LMNA P02545 5/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ FFAR1 O14842 3/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ VDR P11473 1/20 0.41
▸ ALDH3A1 P30838 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
SCHEMBL10452357 0.91 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11023773 0.88 MEN1 (0.70) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL30749491 0.87 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL31614705 0.87 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL39092 0.87 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL39607 0.87 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL29366195 0.87 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL16881788 0.87 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL30120750 0.87 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11020865 0.87 MEN1 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0066989-B1 NOVEL SUBSTITUTED NITRODIPHENYL ETHERS, HERBICIDAL COMPOSITIONS CONTAINING THEM, A PROCESS FOR THE PREPARATION OF THE NITRODIPHENYL ETHERS AND THE USE THEREOF FOR COMBATING WEEDS ROHM AND HAAS COMPANY (US) 1985-03-20 — — EP disclosed
EP-0066989-A2 Novel substituted nitrodiphenyl ethers, herbicidal compositions containing them, a process for the preparation of the nitrodiphenyl ethers and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1982-12-15 — — EP disclosed
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