SCHEMBL10673232

SCHEMBL10673232

COc1ccc(S(=O)(=O)CCOP(=O)(O)O)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
PAX8 Q06710 1/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38

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 0.84 CA1 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL3786451 0.83 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL1568905 0.82 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL10411687 0.82 CA2 (0.50) CA1CA2ALDH1A1HTTGAA
SCHEMBL5365664 0.81 CA1 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL11571366 0.81 MMP8 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL3423928 0.80 CA2 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL11671080 0.80 PKM (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL10673325 0.80 CA2 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL10411985 0.80 MMP2 (0.39) CA1CA2MMP2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4760134-A Process for the preparation of the copper complex disazo compounds from disazo compounds containing an O'-alkoxyaniline group by coppering dimethylation at a pH at about 3-6 HOECHST CELANESE CORPORATION (US) 1988-07-26 US disclosed
US-4139527-A FOR LEATHER, CELLULOSE, WOOL, SILK, POLYAMIDES HOECHST AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed