SCHEMBL11024062

SCHEMBL11024062

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ TTR P02766 1/20 0.66
▸ PPOX P50336 1/20 0.66
▸ LMNA P02545 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MRGPRX4 Q96LA9 2/20 0.44
▸ FFAR1 O14842 3/20 0.43
▸ MAPT P10636 2/20 0.42
▸ PYGL P06737 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ PPARD Q03181 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CCR6 P51684 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
SCHEMBL10450920 0.91 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11023773 0.91 MEN1 (0.70) MEN1KMT2ATDP1TTRPPOX
SCHEMBL30088466 0.90 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL5933816 0.90 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11020865 0.88 MEN1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10996186 0.88 TDP1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL38860 0.86 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL31614705 0.85 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL30749491 0.85 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL39092 0.85 MEN1 (0.78) 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 3 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
EP-0062919-A1 Indole derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1982-10-20 — — EP disclosed
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