SCHEMBL8645355

SCHEMBL8645355

N#CNS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
CA9 Q16790 4/20 0.50
TSHR P16473 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
CYP3A4 P08684 2/20 0.48
DHFR P00374 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 3/20 0.48
HTR6 P50406 3/20 0.48
CYP2C9 P11712 2/20 0.48
MPO P05164 1/20 0.48
CA12 O43570 2/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL7364561 0.79 GAA (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL25340319 0.79 IDO1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL299247 0.78 CA1 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL9414304 0.77 POLB (0.56) CA1CA2CA9TSHRTDP1
SCHEMBL153130 0.75 CA1 (0.67) CA1CA2MMP1MMP2MMP9
SCHEMBL8642756 0.74 MAPT (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL6241936 0.73 CA1 (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL4956859 0.71 CA1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL3776325 0.71 CA1 (1.00) CA1CA2MMP1MMP2MMP9
SCHEMBL28856667 0.71 CA1 (0.61) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602550-B1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffes DYSTAR TEXTILFARBEN GMBH & CO (DE) 1998-08-19 EP disclosed
US-5498713-A FIBER-REACTIVE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-12 US disclosed
EP-0602550-A1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffes HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
EP-0024676-B1 PROCESS FOR FINISHING FIBROUS MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-30 EP disclosed
US-4394129-A WOOL, POLYAMIDES HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-19 US disclosed
EP-0024676-A2 Process for finishing fibrous materials HOECHST AKTIENGESELLSCHAFT (DE) 1981-03-11 EP disclosed