SCHEMBL11566827

SCHEMBL11566827

O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ CA1 P00915 1/20 0.63
▸ CA2 P00918 1/20 0.63
▸ MMP1 P03956 1/20 0.63
▸ MMP2 P08253 1/20 0.63
▸ MMP9 P14780 1/20 0.63
▸ MMP8 P22894 1/20 0.63
▸ MMP13 P45452 1/20 0.63
▸ F2 P00734 2/20 0.58
▸ PRSS1 P07477 2/20 0.58
▸ PRSS2 P07478 2/20 0.58
▸ PRSS3 P35030 2/20 0.58
▸ MET P08581 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MDM2 Q00987 1/20 0.54
▸ THRB P10828 1/20 0.53
▸ CYP19A1 P11511 1/20 0.51

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
SCHEMBL2039879 1.00 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL30446303 1.00 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL11589602 0.89 KMT2A (0.79) KMT2AMEN1CA1CA2MMP1
SCHEMBL2041279 0.88 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL11226703 0.85 KMT2A (0.80) KMT2AMEN1CA1CA2MMP1
SCHEMBL8208093 0.85 KMT2A (0.93) KMT2AMEN1CA1CA2MMP1
SCHEMBL27749452 0.85 KMT2A (0.80) KMT2AMEN1CA1CA2MMP1
SCHEMBL2359170 0.85 KMT2A (0.72) KMT2AMEN1CA1CA2MMP1
SCHEMBL237684 0.84 KMT2A (0.73) KMT2AMEN1CA1CA2MMP1
SCHEMBL3194681 0.84 POLB (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4170708-A FROM AN AROMATIC NITRO COMPOUND, AN ALCOHOL, AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-10-09 — — US disclosed
US-4080365-A Process for preparing aromatic urethanes MITSUI TOATSU CHEMICALS (JA) 1978-03-21 — — US disclosed
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