SCHEMBL9768634

SCHEMBL9768634

COc1cc(S(=O)(=O)O)c(N)cc1N.Cc1cc(S(=O)(=O)O)c(N)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.39
GFER P55789 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
F2 P00734 3/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4649757 0.92 PKM (0.59) PKML3MBTL1POLBGAACA1
SCHEMBL428347 0.86 CYP3A4 (0.42) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL2911879 0.85 PKM (0.47) PKML3MBTL1CA1CA2MMP1
SCHEMBL31435700 0.85 PKM (0.56) PKML3MBTL1POLBGAACA1
SCHEMBL153566 0.85 PKM (0.56) PKML3MBTL1POLBGAACA1
SCHEMBL9233010 0.85 PKM (0.51) PKML3MBTL1POLBGAAGFER
SCHEMBL8113725 0.84 PKM (0.59) PKML3MBTL1POLBGAACA1
SCHEMBL2914715 0.83 PKM (0.56) PKML3MBTL1POLBGAACA1
SCHEMBL4882116 0.81 PKM (0.51) PKML3MBTL1POLBGAAGFER
SCHEMBL4650366 0.81 PKM (0.70) PKML3MBTL1POLBGAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021558-A Color strength, fastness HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed