SCHEMBL10393697

SCHEMBL10393697

CC(=O)Nc1cc(S(=O)(=O)O)c2c(O)ccc(S(=O)(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.47
▸ GAA P10253 2/20 0.44
▸ TNNI3 P19429 1/20 0.44
▸ TNNT2 P45379 1/20 0.44
▸ TNNC1 P63316 1/20 0.44
▸ HKDC1 Q2TB90 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CDK1 P06493 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ TIMP3 P35625 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ CASP6 P55212 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL10604369 0.88 TIMP3 (0.49) ENPP2TNNI3TNNT2TNNC1HKDC1
SCHEMBL8589578 0.84 ENPP2 (0.46) ENPP2TNNI3TNNT2TNNC1HKDC1
SCHEMBL5720575 0.82 POLB (0.43) TNNI3TNNT2TNNC1HKDC1ALDH1A1
SCHEMBL9350837 0.81 TIMP3 (0.49) GAATNNI3TNNT2TNNC1HKDC1
SCHEMBL9723988 0.78 CASP6 (0.48) GAAALDH1A1TDP1CA1CA2
SCHEMBL8589696 0.77 ENPP2 (0.49) ENPP2ALDH1A1LMNACASP6KMT2A
SCHEMBL9765207 0.74 AURKB (0.52) TNNI3TNNT2TNNC1HKDC1ALDH1A1
SCHEMBL10422829 0.73 TIMP3 (0.48) TNNI3TNNT2TNNC1HKDC1ALDH1A1
SCHEMBL8153748 0.73 ENPP2 (0.48) ENPP2GAAALDH1A1LMNATDP1
SCHEMBL9818524 0.72 ENPP2 (0.51) ENPP2GAAALDH1A1TDP1CA12

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4912244-A Vinylsulfonylalkylamino-alkylamines as intermediates for the preparation of fiber-reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-27 — — US 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
EP-0125650-B1 REACTIVE DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE DYEING AND PRINTING OF SUBSTRATES BAYER AG (DE) 1987-04-01 — — EP disclosed
EP-0159292-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-10-23 — — EP disclosed
EP-0144766-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 — — EP disclosed
EP-0139248-A2 Reactive dyes BAYER AG (DE) 1985-05-02 — — EP disclosed
EP-0125650-A2 Reactive dyes, process for their preparation and their use in the dyeing and printing of substrates BAYER AG (DE) 1984-11-21 — — EP disclosed
EP-0063739-B1 METHOD OF PREPARING COPPER COMPLEXES OF AZO DYESTUFFS BAYER AG (DE) 1984-06-27 — — EP disclosed
EP-0013765-B1 REACTIVE AZODYESTUFFS, THEIR PREPARATION AND THEIR USE FOR DYEING MATERIALS CONTAINING HYDROXYL OR AMIDE GROUPS BAYER AG (DE) 1983-01-26 — — EP disclosed
EP-0065479-A2 Reactive dyestuffs, process for their preparation and their use in dyeing and printing materials containing hydroxyl groups or nitrogen BAYER AG (DE) 1982-11-24 — — EP disclosed
EP-0063739-A1 Method of preparing copper complexes of azo dyestuffs BAYER AG (DE) 1982-11-03 — — EP disclosed
US-4294580-A HYDROXYL OR NITROGEN, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-10-13 — — US disclosed
US-4255325-A AZO, ANTHRAQUINONE, FORMAZANE, AND PHTHALOCYANINE DYES; COLOR AND WASHFASTNESS; AMINO HALO TRIAZINE CARBAZIDE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 — — US disclosed
EP-0019785-A2 Reactive dyestuffs, their preparation and their use in dyeing and printing cellulose or polypeptides BAYER AG (DE) 1980-12-10 — — EP disclosed
EP-0013765-A1 Reactive azodyestuffs, their preparation and their use for dyeing materials containing hydroxyl or amide groups BAYER AG (DE) 1980-08-06 — — EP disclosed
US-4079051-A 4-Halogeno-s-triazin-2-yl-phosphoramide acid containing reactive dyestuffs CIBA-GEIGY CORPORATION (US) 1978-03-14 — — US disclosed
US-4052386-A REACTIVE PHTHALOCYANINE DYESTUFFS CONTAINING A FLUOROPYRIMIDINYL GROUP BAYER AKTIENGESELLSCHAFT (DT) 1977-10-04 — — US disclosed
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