SCHEMBL10348679

SCHEMBL10348679

CC(CO)(COS(C)(=O)=O)NCc1ccc2c(ccc3cc4ccccc4cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.43
MMP2 P08253 3/20 0.43
MMP1 P03956 4/20 0.39
MMP9 P14780 2/20 0.39
SLC2A1 P11166 2/20 0.38
VNN1 O95497 1/20 0.34
MAPK14 Q16539 1/20 0.33
NPY5R Q15761 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ROCK1 Q13464 1/20 0.32
IDO1 P14902 1/20 0.32
NPY1R P25929 1/20 0.32
ADAM17 P78536 1/20 0.32
POLB P06746 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL10484081 0.93 SLC2A1 (0.41) MMP13MMP2MMP1MMP9SLC2A1
SCHEMBL10484145 0.90 SLC2A1 (0.41) MMP13MMP2MMP1MMP9SLC2A1
SCHEMBL10348678 0.89 SLC2A1 (0.47) MMP13MMP2MMP1MMP9SLC2A1
SCHEMBL10348839 0.85 MMP13 (0.41) MMP13MMP2MMP1MMP9SLC2A1
SCHEMBL10484383 0.83 SLC2A1 (0.40) SLC2A1KMT2A
SCHEMBL10348691 0.83 SLC2A1 (0.39) MMP13MMP2MMP1MMP9SLC2A1
SCHEMBL10630223 0.83 SLC2A1 (0.48) MMP13MMP2MMP1MMP9SLC2A1
SCHEMBL9536790 0.82 SLC2A1 (0.39) MMP13MMP2MMP1MMP9SLC2A1
SCHEMBL10484078 0.81 SLC2A1 (0.50) MMP13MMP2MMP1MMP9SLC2A1
SCHEMBL8673861 0.80 SLC2A1 (0.50) SLC2A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182609-B1 POLYCYCLIC BIOCIDAL COMPOUNDS, THEIR SYNTHESIS, FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1990-05-09 EP disclosed
US-4882358-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-11-21 US disclosed
US-4827034-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1989-05-02 US disclosed
US-4818443-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-04-04 US disclosed
US-4814502-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS BURROUGHS WELLCOME CO. (US) 1989-03-21 US disclosed
US-4810823-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-03-07 US disclosed
US-4808753-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-02-28 US disclosed
US-4791233-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 US disclosed
US-4791231-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 US disclosed
US-4791232-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 US disclosed
EP-0182609-A2 Polycyclic biocidal compounds, their synthesis, formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-05-28 EP disclosed