SCHEMBL7148282

SCHEMBL7148282

CCC(C)(OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ TTR P02766 1/20 0.69
▸ PPOX P50336 1/20 0.69
▸ FFAR1 O14842 5/20 0.46
▸ PPARD Q03181 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ PYGL P06737 1/20 0.41
▸ LMNA P02545 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CCR6 P51684 1/20 0.40

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
SCHEMBL9575568 0.86 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL30088466 0.85 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL5933816 0.85 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11057422 0.84 TDP1 (0.70) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11208485 0.84 TDP1 (0.62) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL39092 0.84 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL31614705 0.84 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL30749491 0.84 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11441530 0.84 TDP1 (0.82) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11474112 0.84 TDP1 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946100-B1 HERBICIDES CONTAINING N-[(4,6-DIMETHOXYPYRIMIDINE-2-YL)AMINOCARBONYL]-5-METHYLSULPHONAMIDOMETHYL-2-ALKOXYCARBONYLBENZENE SULPHONAMIDES BAYER CROPSCIENCE GMBH (DE) 2003-06-25 — — EP disclosed
EP-0269141-A2 1-Carbamoyl-2-pyrazoline derivatives having herbicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1988-06-01 — — EP disclosed
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