SCHEMBL7769139

SCHEMBL7769139

O=S(=O)(F)F.O=[N+]([O-])c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ FLT1 P17948 1/20 0.54
▸ FLT4 P35916 1/20 0.54
▸ KDR P35968 1/20 0.54
▸ CA1 P00915 5/20 0.52
▸ CA2 P00918 5/20 0.52
▸ CA9 Q16790 4/20 0.52
▸ CA5A P35218 3/20 0.52
▸ CA12 O43570 3/20 0.52
▸ CA14 Q9ULX7 3/20 0.52
▸ CA3 P07451 2/20 0.52
▸ CA4 P22748 2/20 0.52
▸ CA6 P23280 2/20 0.52
▸ CA7 P43166 2/20 0.52
▸ CA13 Q8N1Q1 2/20 0.52
▸ CA5B Q9Y2D0 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.48
▸ GLA P06280 1/20 0.48

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
SCHEMBL27838455 0.93 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19FLT1FLT4
SCHEMBL7767864 0.89 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19FLT1FLT4
SCHEMBL29242 0.89 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19FLT1FLT4
SCHEMBL28180410 0.89 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19FLT1FLT4
SCHEMBL11320631 0.89 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19FLT1FLT4
SCHEMBL2724772 0.89 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19FLT1FLT4
Sulfuric Acid SCHEMBL10534239 0.87 FLT1 (0.58) CYP1A2CYP2C9CYP2C19FLT1FLT4
Sulfamide SCHEMBL9749647 0.87 CA1 (0.63) CYP1A2CYP2C9CYP2C19FLT1FLT4
SCHEMBL10506583 0.86 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19FLT1FLT4
SCHEMBL10506577 0.86 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19FLT1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740690-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF SYNGENTA LTD (GB) 2001-06-20 — — EP disclosed
US-5739299-A GOOD WET FASTNESS AND LIGHT FASTNESS PROPERTIES ZENECA LIMITED (GB) 1998-04-14 — — US disclosed
EP-0740690-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-11-06 — — EP disclosed
WO-1995020014-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1995-07-27 — — WO disclosed
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