SCHEMBL6552604

SCHEMBL6552604

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3G Q9HC16 1/20 0.50
▸ KMT2A Q03164 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ HTR6 P50406 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ HSD11B1 P28845 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA13 Q8N1Q1 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
SCHEMBL10972984 0.81 CA9 (0.50) KMT2APKMHTR6CA12CA9
SCHEMBL10336123 0.79 APOBEC3G (0.47) APOBEC3GKMT2APKMHTR6ESR1
SCHEMBL5810584 0.79 APOBEC3G (0.47) APOBEC3GKMT2APKMHTR6ESR1
SCHEMBL6393197 0.78 ALDH1A1 (0.49) APOBEC3GKMT2APKMESR1CA12
SCHEMBL5883809 0.76 APOBEC3G (0.44) APOBEC3GKMT2APKMHTR6ESR1
SCHEMBL10824170 0.75 APOBEC3G (0.47) APOBEC3GKMT2APKMHSD11B1
SCHEMBL2972423 0.74 APOBEC3G (0.41) APOBEC3GKMT2AESR1CA12CA9
SCHEMBL9709553 0.72 ALDH1A1 (0.46) KMT2APKMHTR6CA12CA9
SCHEMBL11347290 0.72 APOBEC3G (0.58) APOBEC3GKMT2APKMHTR6ESR1
SCHEMBL296001 0.70 KMT2A (0.48) KMT2APKMHTR6CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107823184-A The preparation method of isotope of redox-sensitive induction pH response nano pharmaceutical carriers and application 中国医学科学院生物医学工程研究所 2018-03-23 — — CN disclosed
CN-101212973-B 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility ORGANON NV 2011-11-16 — — CN disclosed
CN-101212973-A 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility ORGANON NV (NL) 2008-07-02 — — CN disclosed
EP-1489069-A2 Preparation of sulfonyl imine compounds E.I. du Pont de Nemours and Company (US) 2004-12-22 — — EP disclosed
EP-1216227-B1 PREPARATION OF SULFONYL IMINE COMPOUNDS DU PONT (US) 2004-12-08 — — EP disclosed
WO-2001023352-A9 PREPARATION OF SULFONYL IMINE COMPOUNDS DU PONT (US) 2002-12-27 — — WO disclosed
EP-1216227-A2 PREPARATION OF SULFONYL IMINE COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-06-26 — — EP disclosed
US-6380429-B1 OXIDATION OF SULFONAMIDE E. I. DU PONT NEMOURS AND COMPANY 2002-04-30 — — US disclosed
WO-2001023352-A2 PREPARATION OF SULFONYL IMINE COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-04-05 — — WO disclosed
CN-1047220-A PAN GRANULATION DU PONT (US) 1990-11-28 — — CN disclosed
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