SCHEMBL3380651

SCHEMBL3380651

O=S(=O)(O)c1cccc(NCl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.46
SNCA P37840 1/20 0.46
CASR P41180 3/20 0.46
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
PGR P06401 1/20 0.43
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
MAPT P10636 2/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
NSD2 O96028 1/20 0.40
DUSP3 P51452 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
SCHEMBL11717248 0.85 ALDH1A1 (0.48) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL6389232 0.83 TSHR (0.55) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL9353883 0.82 TSHR (0.53) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL27852561 0.80 ROCK1 (0.51) ALDH1A1SMN1; SMN2LMNA
SCHEMBL29027899 0.80 TSHR (0.52) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL5414637 0.80 TSHR (0.52) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL176757 0.80 TSHR (0.52) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL393137 0.80 TSHR (0.62) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL3379465 0.80 TSHR (0.52) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL8916275 0.80 TSHR (0.52) TSHRALDH1A1HSD17B10TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0333656-A1 Reactive dyes, process for their preparation and their use CIBA-GEIGY AG (CH) 1989-09-20 EP claimed
CN-110387138-A Methylidyne compound, colored resin composition, coloring cured film and its manufacturing method, colored filter, printing ink and application thereof 日本化药株式会社 2019-10-29 CN disclosed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed
US-5610298-A Water-soluble anthraquinone compounds, preparation thereof and use thereof as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed
EP-0333656-A1 Reactive dyes, process for their preparation and their use CIBA-GEIGY AG (CH) 1989-09-20 EP disclosed