SCHEMBL6535061

SCHEMBL6535061

O=[N+]([O-])c1ccccc1S(=O)(=O)NOC1CCCCO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ACHE P22303 1/20 0.43
▸ F2 P00734 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MCOLN3 Q8TDD5 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL18770161 0.81 PKM (0.40) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL2856007 0.81 KMT2A (0.51) KMT2AMEN1CA1CA2MMP1
SCHEMBL3516930 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1CYP19A1HTT
SCHEMBL4809752 0.77 CA1 (0.47) KMT2AMEN1CA1CA2MMP1
SCHEMBL15334448 0.75 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL14163384 0.74 KMT2A (0.97) KMT2AMEN1CA1CA2MMP1
SCHEMBL13045357 0.73 KMT2A (0.62) KMT2AMEN1CA1CA2MMP1
SCHEMBL2774101 0.73 KMT2A (0.79) KMT2AMEN1CA1CA2MMP1
SCHEMBL34474241 0.72 KMT2A (0.94) KMT2AMEN1CA1CA2MMP1
SCHEMBL12481279 0.72 KMT2A (0.94) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098659-A4 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS METAPHORE INC (US) 2004-11-24 — — EP disclosed
EP-1098659-A2 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS Metaphore, Inc. (US) 2001-05-16 — — EP disclosed
WO-2000004868-A2 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS METAPHORE, INC. (US) 2000-02-03 — — WO disclosed
Send feedback