SCHEMBL9681802

SCHEMBL9681802

Nc1ccc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HTT P42858 1/20 0.42
NT5E P21589 2/20 0.40
CASP6 P55212 2/20 0.40
NSD2 O96028 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 2/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP3A4 P08684 2/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL6022278 0.95 ALDH1A1 (0.43) ALDH1A1HTTNT5ECASP6NSD2
SCHEMBL314732 0.82 TSHR (0.50) ALDH1A1NT5ETSHRGAACYP2C9
SCHEMBL7775064 0.81 NT5E (0.49) ALDH1A1HTTNT5ECASP6NSD2
SCHEMBL9559143 0.81 NT5E (0.46) ALDH1A1HTTNT5ECASP6NSD2
SCHEMBL1357506 0.80 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10F2PRSS1
SCHEMBL9401854 0.80 CASP6 (0.48) ALDH1A1NT5ECASP6NSD2DUSP3
SCHEMBL10428307 0.79 NT5E (0.44) ALDH1A1HTTNT5ECASP6NSD2
SCHEMBL10804852 0.78 ALDH1A1 (0.44) ALDH1A1HTTNT5ECASP6NSD2
SCHEMBL8817939 0.78 ALDH1A1 (0.41) ALDH1A1HTTCASP6PTPN11KDM4E
SCHEMBL8817944 0.78 ALDH1A1 (0.47) ALDH1A1HTTKDM4EHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102993-A Useful in one phase printing due to stability in alkaline printing pastes and high color yield HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
US-5093483-A WATER-SOLUBLE AZO COMPOUNDS HAVING A 6-CARBOXY-2-NAPHTHAL AS COUPLING COMPONENTS, SUITABLE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5070189-A ORANGE TO RED SHADES ON CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
US-5015731-A For fibers such as wool and cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
US-5003053-A Water-soluble monoazo compounds containing a p-aminophenylamino- and chloro- or fluoro-substituted triazinylamino group and a fiber-reactive group selected from the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-26 US disclosed
US-4975539-A NEW AZO DYES; WASHFASTNESS; ACID RESISTANCE HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-04 US disclosed
US-4902786-A Phenylazonaphthol or naphthylazonaphthol compounds containing a fibre-reactive aminophenylamino-substituted halogen-s-triazinylamino group and a fibre-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-20 US disclosed
US-4818814-A COLORFASTNESS HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-04 US disclosed
US-4775746-A Water-soluble monoazo compounds containing a fiber-reactive group of the vinylsulfone series and having a sulfonaphthol coupling component with a phenylaminotriazinylamino substituent, suitable as dyestuffs HOECHST AKTIENGESELLSHAFT (DE) 1988-10-04 US disclosed
US-4757136-A Water-soluble Azo compounds containing fiber-reactive groups and having a sulfo-naphthol coupling component with a triazinylamino substituent suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4740592-A Water-soluble azo compounds containing fiber-reactive groups and having a sulfo-naphthal coupling component with a triazinylamino substituent suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
US-4731441-A Water-soluble azo compounds containing, as fiber-reactive groups, a (nitrophenylamino-phenylamino)-chloro-triazinylamino group and groups of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-15 US disclosed
US-4701523-A Water-soluble disazo compounds containing one or two (nitro-phenylamino)-phenylamino-chlorotriazinylamino groups, the nitro-phenylamino being additionally substituted by a fiber-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-20 US disclosed
US-4659807-A Water-soluble pyridone monoazo compounds suitable as fiber reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed