SCHEMBL8419869

SCHEMBL8419869

O=[N+]([O-])c1ccccc1S(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ MMP1 P03956 1/20 0.56
▸ MMP2 P08253 1/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ MMP8 P22894 1/20 0.56
▸ MMP13 P45452 1/20 0.56
▸ F2 P00734 2/20 0.51
▸ PRSS1 P07477 2/20 0.51
▸ PRSS2 P07478 2/20 0.51
▸ PRSS3 P35030 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ HSD17B10 Q99714 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ PKM P14618 1/20 0.46

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
SCHEMBL31251161 0.85 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL2184509 0.85 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL11566827 0.80 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL2039879 0.80 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL30446303 0.80 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL237684 0.78 KMT2A (0.73) KMT2AMEN1CA1CA2MMP1
Zinc Ion SCHEMBL4580866 0.77 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
Potassium Ion SCHEMBL7460752 0.77 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL1148394 0.77 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL17278 0.77 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784614-B1 THE PREPARATION OF FLUORINATED ORGANIC COMPOUNDS F2 CHEMICALS LIMITED (GB) 1999-10-06 — — EP disclosed
US-5741935-A Preparation of organic pentafluorosulphur compounds BRITISH NUCLEAR FUELS PLC (GB) 1998-04-21 — — US disclosed
EP-0784614-A1 THE PREPARATION OF FLUORINATED ORGANIC COMPOUNDS British Nuclear Fuels PLC (GB) 1997-07-23 — — EP disclosed
WO-1997005106-A1 THE PREPARATION OF FLUORINATED ORGANIC COMPOUNDS BRITISH NUCLEAR FUELS PLC (GB) 1997-02-13 — — WO disclosed
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