SCHEMBL7077928

SCHEMBL7077928

COC(=O)CC(CS(=O)(=O)c1ccc(CCc2cccc(NC3=NCCCS3)c2)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.39
F2 P00734 4/20 0.38
F10 P00742 4/20 0.38
PRSS1 P07477 3/20 0.38
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
MCL1 Q07820 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
AOC3 Q16853 1/20 0.35
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7074301 0.95 AOC3 (0.39) NPY1RF2F10PRSS1ALDH1A1
SCHEMBL8357377 0.87 ALDH1A1 (0.44) NPY1RF2F10PRSS1ALDH1A1
SCHEMBL7073328 0.86 ALDH1A1 (0.40) F2F10PRSS1ALDH1A1KMT2A
SCHEMBL7077670 0.81 LMNA (0.44) ALDH1A1MAPTKMT2AMCL1NPC1
SCHEMBL7079112 0.78 F10 (0.41) F2F10PRSS1ALDH1A1KMT2A
SCHEMBL7077874 0.77 F2 (0.46) F2F10PRSS1ALDH1A1
SCHEMBL7079158 0.75 SMN1; SMN2 (0.43) F2F10PRSS1ALDH1A1MAPT
SCHEMBL7131622 0.74 MMP2 (0.33) ALDH1A1KMT2AAOC3LMNAATM
SCHEMBL7077585 0.72 F2 (0.41) F2F10PRSS1ALDH1A1KMT2A
SCHEMBL8359555 0.72 POLB (0.46) NPY1RMAPTKMT2AMCL1NPC1

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