SCHEMBL7820869

SCHEMBL7820869

O=[N+]([O-])c1ccc(Nc2ccccc2)c(S(=O)(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.67
▸ CTSV O60911 1/20 0.62
▸ CTSL P07711 1/20 0.62
▸ MAPT P10636 7/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ TDP1 Q9NUW8 3/20 0.61
▸ GAA P10253 3/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ GFER P55789 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ NSD2 O96028 1/20 0.61
▸ APEX1 P27695 1/20 0.61
▸ APOBEC3A P31941 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ CASP6 P55212 1/20 0.61
▸ APOBEC3G Q9HC16 1/20 0.61
▸ CXCR2 P25025 3/20 0.53

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
SCHEMBL16147671 0.89 NT5E (0.61) NT5ECTSVCTSLMAPTMEN1
SCHEMBL108329 0.89 NT5E (0.61) NT5ECTSVCTSLMAPTMEN1
SCHEMBL141080 0.88 NT5E (0.60) NT5ECTSVCTSLMAPTMEN1
SCHEMBL141081 0.88 NT5E (0.60) NT5ECTSVCTSLMAPTMEN1
SCHEMBL141078 0.88 NT5E (0.60) NT5ECTSVCTSLMAPTMEN1
SCHEMBL2032113 0.86 NT5E (0.85) NT5ECTSVCTSLMAPTMEN1
SCHEMBL8044728 0.86 NT5E (0.68) NT5ECTSVCTSLMAPTMEN1
SCHEMBL10706036 0.85 NT5E (0.71) NT5ECTSVCTSLMAPTMEN1
SCHEMBL10413185 0.83 NT5E (0.64) NT5ECTSVCTSLMAPTMEN1
SCHEMBL10413733 0.82 NT5E (0.54) NT5ECTSVCTSLMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
US-5380456-A Aromatic aminosulfonic acid, liquid bleach UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1995-01-10 — — US disclosed
US-4851527-A Water-soluble triphendioxazine compounds HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-25 — — US disclosed
EP-0168751-B1 WATER SOLUBLE TRIPHENEDIOXAZINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-08 — — EP disclosed
EP-0212635-B1 WATER SOLUBLE TRIPHENEDIOXAZINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-25 — — EP disclosed
US-4785098-A BLUE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 — — US disclosed
US-4785099-A FIBER-REACTIVE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 — — US disclosed
EP-0146889-B1 PROCESS FOR THE PRODUCTION OF AROMATIC AMINO-SULPHONIC ACIDS BASF Aktiengesellschaft (DE) 1986-06-18 — — EP disclosed
EP-0146889-A1 Process for the production of aromatic amino-sulphonic acids BASF Aktiengesellschaft (DE) 1985-07-03 — — EP disclosed
US-3943122-A Polyazo compounds containing benzhydrol as a component PECHINEY UGINE KUHLMANN (FR) 1976-03-09 — — US disclosed
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