SCHEMBL7770068

SCHEMBL7770068

COc1ccccc1N.O=S(=O)(F)F

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.75
TDP1 Q9NUW8 2/20 0.75
ADRA2B P18089 1/20 0.75
PTGS1 P23219 1/20 0.75
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
FGB P02675 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44

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
Sulfuric Acid SCHEMBL31071037 0.88 ALDH1A1 (0.75) ALDH1A1TDP1ADRA2BPTGS1CA1
Sulfuric Acid SCHEMBL5701214 0.88 ALDH1A1 (0.75) ALDH1A1TDP1ADRA2BPTGS1CA1
SCHEMBL14598 0.87
SCHEMBL29390378 0.87
SCHEMBL6410217 0.86 ALDH1A1 (0.72) ALDH1A1TDP1ADRA2BPTGS1CA1
SCHEMBL357940 0.84 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
SCHEMBL7772203 0.84 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
SCHEMBL21840888 0.84 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
Iodide SCHEMBL28354404 0.84 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
Hydrochloric Acid SCHEMBL892262 0.84 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1

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