SCHEMBL9697589

SCHEMBL9697589

O=S(=O)(O)c1ccc(Nc2nc(F)nc(F)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.71
CA2 P00918 17/20 0.71
CA9 Q16790 17/20 0.71
CA12 O43570 13/20 0.71
CA14 Q9ULX7 8/20 0.71
CA4 P22748 5/20 0.71
CA6 P23280 5/20 0.71
CA7 P43166 5/20 0.71
CA13 Q8N1Q1 4/20 0.71
CA5A P35218 3/20 0.57
CA3 P07451 3/20 0.57
SNCA P37840 2/20 0.45
HTT P42858 1/20 0.40

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
SCHEMBL22375908 0.97 CA1 (0.66) CA1CA2CA9CA12CA14
SCHEMBL9009810 0.87 CA1 (0.59) CA1CA2CA9CA12CA14
SCHEMBL22375901 0.83 CA1 (0.51) CA1CA2CA9CA12CA14
SCHEMBL4650604 0.83 CA1 (0.50) CA1CA2CA9CA12CA14
SCHEMBL9483352 0.83 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL8951887 0.82 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL8657140 0.81 CA12 (0.51) CA1CA2CA9CA12CA14
SCHEMBL21925301 0.81 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL114234 0.79 CA9 (0.71) CA1CA2CA9CA12CA14
SCHEMBL16063644 0.79 CA1 (0.73) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116957-A REACTIVE AZO DYESTUFFS HAVING A FLUOROTRIAZINE GROUP AND IMPROVED FIXATION PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
EP-0177978-B1 NAPHTHOL AMINE DERIVATIVES BAYER AG (DE) 1988-04-20 EP disclosed
US-4649193-A COTTON, WOOL, POLYAMIDES; COLOR-AND WASH FASTNESS HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-10 US disclosed
EP-0084314-B1 REACTIVE DISAZO DYES BAYER AG (DE) 1986-07-30 EP disclosed
EP-0085378-B1 COPPER COMPLEX DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1986-03-19 EP disclosed
EP-0085378-A2 Copper complex disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-08-10 EP disclosed
EP-0047863-A2 Reactive phthalocyanine hyes, process for their preparation and their use in dyeing materials containing hydroxyle groups and/or nitrogen BAYER AG (DE) 1982-03-24 EP disclosed
US-4206306-A Reactive phthalocyanine dyestuffs containing a fluorotriazinyl group attached via a nitrogen bridge to the dyestuff molecule BAYER AKTIENGESELLSCHAFT (DE) 1980-06-03 US disclosed
US-4115378-A TEXTILES BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed