SCHEMBL7073328

SCHEMBL7073328

COC(=O)CC(CS(=O)(=O)c1ccc(CCc2cccc(NC3=NCCC3)c2)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
F2 P00734 4/20 0.39
F10 P00742 4/20 0.39
PRSS1 P07477 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.35
BDKRB1 P46663 1/20 0.35

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
SCHEMBL7077928 0.86 NPY1R (0.39) ALDH1A1F2F10PRSS1KMT2A
SCHEMBL7074301 0.85 AOC3 (0.39) ALDH1A1F2F10PRSS1KMT2A
SCHEMBL7077874 0.79 F2 (0.46) ALDH1A1F2F10PRSS1
SCHEMBL7079112 0.78 F10 (0.41) ALDH1A1F2F10PRSS1KMT2A
SCHEMBL7079158 0.77 SMN1; SMN2 (0.43) ALDH1A1F2F10PRSS1L3MBTL1
SCHEMBL7077585 0.74 F2 (0.41) ALDH1A1F2F10PRSS1KMT2A
SCHEMBL7130131 0.73 ITGB3 (0.46) ALDH1A1KDM4E
SCHEMBL8357377 0.73 ALDH1A1 (0.44) ALDH1A1F2F10PRSS1KMT2A
SCHEMBL7162980 0.71 ITGB3 (0.36) LMNA
SCHEMBL7073376 0.71 ALDH1A1 (0.46) ALDH1A1F2F10PRSS1KMT2A

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
WO-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed