SCHEMBL8976145

SCHEMBL8976145

O=C(O)CNc1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 4/20 0.64
NSD2 O96028 3/20 0.64
NT5E P21589 2/20 0.64
DUSP3 P51452 2/20 0.64
PTPN5 P54829 2/20 0.64
PTPN11 Q06124 2/20 0.64
CASP7 P55210 1/20 0.64
PRMT1 Q99873 3/20 0.53
CTDSP1 Q9GZU7 1/20 0.45
SNCA P37840 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ENPP2 Q13822 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 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
SCHEMBL11219394 0.90 PRMT1 (0.66) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL9095576 0.88 NT5E (0.62) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL8976324 0.87 CASP6 (0.61) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL4436179 0.83 CASP6 (0.63) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL6560639 0.83 CASP6 (0.63) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL8377060 0.82 CASP6 (0.61) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL9215027 0.82 NSD2 (0.68) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL11516813 0.81 CASP6 (0.60) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL9342332 0.81 CASP6 (0.60) CASP6NSD2NT5EDUSP3PTPN5
SCHEMBL10580903 0.81 NT5E (0.64) CASP6NSD2NT5EDUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5580965-A Disazo dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
EP-0735106-A2 Disazo dyes BAYER AG (DE) 1996-10-02 EP disclosed
EP-0333653-B1 Reactive dyes, process for their preparation and their use CIBA GEIGY AG (CH) 1994-06-08 EP disclosed
US-4973672-A Water-soluble aminonaphthol disazo dyestuffs, their preparation and their use CASSELLA AKTIENGESELLSCHAFT (DE) 1990-11-27 US disclosed
US-4963659-A DYEING CELLULOSE, PRINTING TEXTILES CIBA-GEIGY CORPORATION (US) 1990-10-16 US disclosed
EP-0333653-A2 Reactive dyes, process for their preparation and their use CIBA-GEIGY AG (CH) 1989-09-20 EP disclosed
US-4782140-A Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge CIBA-GIEGY CORPORATION (US) 1988-11-01 US disclosed
EP-0144766-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-10-05 EP disclosed
US-4754023-A Reactive dyestuffs comprising a triazine moiety and a vinylsulfonyl moiety both being linked by a substituted alkylene bridge member CIBA-GEIGY CORPORATION (US) 1988-06-28 US disclosed
EP-0159292-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-01-07 EP disclosed
US-4591634-A GOOD BUILD-UP CAPACITY AND COMBINABILITY BAYER AKTIENGESELLSCHAFT (DE) 1986-05-27 US disclosed
EP-0159292-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed
US-4443371-A LEATHER, PAPER ALTHOUSE TERTRE, S.A. (BE) 1984-04-17 US disclosed
US-4348204-A COTTON, REGENERATED CELLULOSE, PAPER; TETRAKISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
US-4248776-A Symmetrical trisazo dye obtained by coupling tetrazotized 4-4'-diaminozobenzene with 2-carboxymethylamin0-8-naphthol-6-sulphonic acid AZIENDE COLORI NAZIONALI AFFINI ACNA S.P.A. (IT) 1981-02-03 US disclosed
US-4248776-A Symmetrical trisazo dye obtained by coupling tetrazotized 4-4'-diaminozobenzene with 2-carboxymethylamin0-8-naphthol-6-sulphonic acid AZIENDE COLORI NAZIONALI AFFINI ACNA S.P.A. (IT) 1981-02-03 US disclosed
EP-0013922-A2 Process for dyeing and printing fibrous materials containing hydroxy groups CASSELLA Aktiengesellschaft (DE) 1980-08-06 EP disclosed
EP-0013919-A2 Aqueous dyestuff preparation, process for its production and its use in dyeing and printing CASSELLA Aktiengesellschaft (DE) 1980-08-06 EP disclosed
US-4144231-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed
US-4143033-A WATER-SOLUBLE DISAZO DYESTUFFS CONTAINING A 2-PHENYL-BENZIMIDAZOLYL,-BENZOXAZOLYL OR-BENZTHIAZOLYL MIDDLE COMPONENT CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed