SCHEMBL9503563

SCHEMBL9503563

Nc1ccc(S(=O)(=O)CCOCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MAOB P27338 4/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.45
MAOA P21397 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PRMT1 Q99873 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA4 P22748 2/20 0.43
CA7 P43166 2/20 0.43
CA12 O43570 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL31277779 0.89 TSHR (0.50) LMNAMAPTL3MBTL1CA1CA2
SCHEMBL9420489 0.81 GAA (0.53) GAALMNASMN1; SMN2CA1CA2
SCHEMBL10758725 0.81 TDP1 (0.46) LMNAMAPTL3MBTL1CA1CA2
SCHEMBL10758730 0.79 LMNA (0.46) LMNAMAPTSMN1; SMN2CA1CA2
SCHEMBL6201009 0.77 MAOB (0.59) GAAMAOBRAB9AMAOAMAPT
SCHEMBL10755015 0.76 LMNA (0.50) LMNAMAPTL3MBTL1ALDH1A1HTT
SCHEMBL25565579 0.76 TSHR (0.52) LMNARAB9ASMN1; SMN2L3MBTL1CA1
SCHEMBL1621831 0.76 CA2 (0.55) CA1CA2CA9CA4CA7
SCHEMBL18631331 0.75 TSHR (0.50) LMNAMAPTSMN1; SMN2CA1CA2
SCHEMBL5081823 0.74 TSHR (0.62) GAAMAOBLMNAMAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344343-B1 PROCESS FOR THE REGIOSPECIFIC SULFONATION OF 2-AMINO-NAPHTALENES SUBSTITUTED IN THE 5- OR 7-POSITION BY A FIBRE REACTIVE VS-GROUP, THE NOVEL 5-SULFO-SUBSTITUTED FIBER-REACTIVE 2-AMINO-NAPHTHALENE, AND FIBRE-REACTIVE AZO DYES THEREOF HOECHST CELANESE CORPORATION (US) 1993-04-21 EP disclosed
EP-0344343-A1 Process for the regiospecific sulfonation of 2-amino-naphtalenes substituted in the 5- or 7-position by a fibre reactive vs-group, the novel 5-sulfo-substituted fiber-reactive 2-amino-naphthalene, and fibre-reactive azo dyes thereof HOECHST CELANESE CORPORATION (US) 1989-12-06 EP disclosed