SCHEMBL30928268

SCHEMBL30928268

O=[N+]([O-])c1c(F)cccc1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ NPY1R P25929 1/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ VCAM1 P19320 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MDM2 Q00987 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ AKR1B1 P15121 2/20 0.37
▸ F2 P00734 1/20 0.37

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
SCHEMBL27496823 0.88 KMT2A (0.63) KMT2AMEN1NPY1RNPC1VCAM1
SCHEMBL28105323 0.85 KMT2A (0.43) KMT2AMEN1NPY1RNPC1ALDH1A1
SCHEMBL6052931 0.85 KMT2A (0.43) KMT2AMEN1NPY1RNPC1VCAM1
SCHEMBL2062279 0.85 KMT2A (0.43) KMT2AMEN1NPY1RNPC1VCAM1
SCHEMBL4574701 0.85 KMT2A (0.43) KMT2AMEN1NPY1RNPC1VCAM1
SCHEMBL29290020 0.85 KMT2A (0.43) KMT2AMEN1NPY1RNPC1VCAM1
SCHEMBL2061376 0.81 KMT2A (0.40) KMT2AMEN1NPY1RNPC1VCAM1
SCHEMBL240574 0.81 TDP1 (0.52) NPC1VCAM1ALDH1A1TDP1LMNA
SCHEMBL2061378 0.79 KMT2A (0.38) KMT2AMEN1NPY1RNPC1ALDH1A1
SCHEMBL3193995 0.78 KMT2A (0.68) KMT2AMEN1ALDH1A1TDP1CA1

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
CN-118165350-B Process for preparing wear-resistant rubber sole material by supercritical foaming method 广东海瑞斯新材料股份有限公司 2024-08-30 — — CN disclosed
CN-118165350-A Process for preparing wear-resistant rubber sole material by supercritical foaming method 广东海瑞斯新材料股份有限公司 2024-06-11 — — CN disclosed
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