SCHEMBL7896076

SCHEMBL7896076

O=[N+]([O-])c1cccc(S(=O)(=O)S(=O)(=O)c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.51
TSHR P16473 1/20 0.46
GPR35 Q9HC97 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
RAB9A P51151 1/20 0.44
KIF18A Q8NI77 1/20 0.43
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 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
SCHEMBL2230607 0.85 KMT2A (0.75) KMT2AMEN1TSHRGPR35CA1
SCHEMBL3193995 0.79 KMT2A (0.68) KMT2AMEN1TSHRGPR35CA1
SCHEMBL28914433 0.76 KMT2A (0.53) KMT2AMEN1TSHRGPR35CA1
SCHEMBL31294149 0.76 KMT2A (0.53) KMT2AMEN1TSHRGPR35CA1
SCHEMBL29849759 0.76 KMT2A (0.53) KMT2AMEN1TSHRGPR35CA1
SCHEMBL31294234 0.76 KMT2A (0.53) KMT2AMEN1TSHRGPR35CA1
SCHEMBL8565033 0.76 KMT2A (0.53) KMT2AMEN1TSHRGPR35CA1
SCHEMBL31294204 0.76 KMT2A (0.53) KMT2AMEN1TSHRGPR35CA1
SCHEMBL318287 0.76 GPR35 (0.56) KMT2AMEN1TSHRGPR35CA1
SCHEMBL414795 0.76 GPR35 (0.56) KMT2AMEN1TSHRGPR35CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed