SCHEMBL7769090

SCHEMBL7769090

O=[N+]([O-])c1cc(S(=O)(=O)F)sc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR35 Q9HC97 1/20 0.38
VCAM1 P19320 9/20 0.38
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL1938624 0.84 VCAM1 (0.42) TSHRALDH1A1CYP3A4HPGDALOX15
SCHEMBL4859459 0.82 GPR35 (0.42) TSHRALDH1A1CYP3A4HPGDALOX15
SCHEMBL1185703 0.82 VCAM1 (0.49) TSHRALDH1A1CYP3A4HPGDALOX15
Silver SCHEMBL2515251 0.82 GPR35 (0.38) TSHRALDH1A1CYP3A4HPGDALOX15
SCHEMBL2515254 0.81 GPR35 (0.41) TSHRALDH1A1CYP3A4HPGDALOX15
Hydrochloric Acid SCHEMBL27566213 0.81 GPR35 (0.41) TSHRALDH1A1CYP3A4HPGDALOX15
SCHEMBL7764312 0.79 ALDH1A1 (0.37) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL15880676 0.78 CA1 (0.53) TSHRALDH1A1CYP3A4HPGDALOX15
SCHEMBL5233687 0.78 VCAM1 (0.36) TSHRALDH1A1CYP3A4HPGDALOX15
SCHEMBL5232126 0.75 EPAS1 (0.40) ALDH1A1TDP1VCAM1CA1CA2

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