SCHEMBL7077874

SCHEMBL7077874

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.46
F10 P00742 8/20 0.46
PRSS1 P07477 7/20 0.46
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 1/20 0.39
PRMT1 Q99873 1/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
NAMPT P43490 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7079926 0.88 MAOA (0.48) F10MAOAMAOBALDH1A1CYP19A1
SCHEMBL7079158 0.86 SMN1; SMN2 (0.43) F2F10PRSS1ALDH1A1SMN1; SMN2
SCHEMBL7075400 0.84 F2 (0.45) F2F10PRSS1ALDH1A1MMP2
SCHEMBL7077585 0.83 F2 (0.41) F2F10PRSS1ALDH1A1MMP2
SCHEMBL7077837 0.82 ALDH1A1 (0.45) F2F10PRSS1ALDH1A1PRMT1
SCHEMBL7078814 0.80 MMP13 (0.48) F2F10PRSS1ALDH1A1MMP2
SCHEMBL7073767 0.79 MMP13 (0.49) F2F10PRSS1ALDH1A1MMP2
SCHEMBL7073376 0.79 ALDH1A1 (0.46) F2F10PRSS1ALDH1A1MMP2
SCHEMBL7073328 0.79 ALDH1A1 (0.40) F2F10PRSS1ALDH1A1
SCHEMBL7074301 0.78 AOC3 (0.39) F2F10PRSS1ALDH1A1SMN1; SMN2

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