SCHEMBL6473072

SCHEMBL6473072

O=S(=O)(CCNc1ccc(S(=O)(=O)O)cc1)CCOS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.37
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
LMNA P02545 1/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
NT5E P21589 1/20 0.34
TIMP3 P35625 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PTPRA P18433 1/20 0.32
PTPRB P23467 1/20 0.32
SNCA P37840 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6473074 0.91 ALDH1A1 (0.38) TYMSCA1CA2LMNACA12
SCHEMBL10615220 0.85 GAA (0.36) CA1CA2CA12CA9ALDH1A1
SCHEMBL6478505 0.84 MAPT (0.41) CA1CA2LMNACA12CA9
SCHEMBL10616377 0.83 CA1 (0.40) CA1CA2LMNACA12CA9
SCHEMBL9816419 0.83 TYMS (0.39) TYMSCA1CA2LMNACA12
SCHEMBL10617462 0.82 GAA (0.53) CA1CA2CA12CA9ALDH1A1
SCHEMBL7843420 0.81 PRMT1 (0.39) TYMSCA1CA2LMNACA12
SCHEMBL6477872 0.76 ALDH1A1 (0.47) CA1CA2LMNACA12CA9
SCHEMBL10700258 0.73 LMNA (0.45) CA2LMNAALDH1A1TSHRNT5E
SCHEMBL11149031 0.73 CA1 (0.46) TYMSCA1CA2LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949631-B2 Reactive azo dyes, method for the production and use thereof DYSTAR TEXTILFARBON GMBH & CO. DEUTSCHLAND KG (DE) 2005-09-27 US disclosed
EP-0167219-B1 FIBER-REACTIVE COMPOUND HAVING BOTH PYRIDINIOTRIAZINYL AND VINYLSULFONE TYPE GROUPS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-09-28 EP disclosed
US-4626589-A Organic dye compound having both pyridiniotriazinyl and vinylsulfone type fiber-reactive groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-12-02 US disclosed
EP-0167219-A1 Fiber-reactive compound having both pyridiniotriazinyl and vinylsulfone type groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-08 EP disclosed