SCHEMBL10810207

SCHEMBL10810207

O=C(c1ccccc1)C(OS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ THRB P10828 1/20 0.41
▸ F2 P00734 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ HPGD P15428 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ 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
SCHEMBL10711121 0.84 SMN1; SMN2 (0.49) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL9244505 0.79 KMT2A (0.54) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL708291 0.79 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1CYP3A4GAA
SCHEMBL9098667 0.77 KMT2A (0.51) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL10506795 0.77 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL8713493 0.76 KMT2A (0.58) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL194578 0.76 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1CYP3A4GAA
SCHEMBL19862495 0.75 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL27854888 0.74 KMT2A (0.47) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL19469362 0.73 KMT2A (0.58) KMT2AMEN1ALDH1A1CA1CA2

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-4699949-A Hardening of acid-hardenable compositions containing a blocked hardening catalyst, using heat CIBA-GEIGY CORPORATION (US) 1987-10-13 — — US disclosed
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