SCHEMBL916199

SCHEMBL916199

CNCCS(=O)(=O)c1ccc(OC)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
F2 P00734 3/20 0.51
PRSS1 P07477 3/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 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
SCHEMBL10673228 0.83 CA1 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL3423928 0.82 CA2 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL3786451 0.82 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL10670385 0.82 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL9306552 0.82 MMP8 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL588928 0.81 CA1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL8752130 0.81 MAPT (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL11574192 0.81 CA1 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL5365664 0.79 CA1 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL11322582 0.79 CA2 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293877-B2 Reactive dyestuff with N-alkylamino group EVERLIGHT USA, INC. (US) 2012-10-23 US disclosed
US-20110015378-A1 Novel reactive dyestuff with N-alkylamino group EVERLIGHT USA, INC. (US) 2011-01-20 US disclosed
US-7598357-B1 Bis-reactive dye with n,n-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-10-06 US disclosed