SCHEMBL27809052

SCHEMBL27809052

CC(=O)N1CCN(c2ccc(CCc3ccc(NN)cc3)nc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 19/20 0.77
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
GFER P55789 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL27808959 0.89 AOC3 (0.77) AOC3
SCHEMBL27809030 0.89 AOC3 (0.81) AOC3
SCHEMBL16812823 0.88 AOC3 (0.79) AOC3
SCHEMBL1432750 0.87 AOC3 (0.74) AOC3GFER
SCHEMBL1432625 0.87 AOC3 (0.74) AOC3
SCHEMBL1432648 0.87 AOC3 (1.00) AOC3
SCHEMBL1432611 0.87 AOC3 (1.00) AOC3
SCHEMBL2068345 0.86 AOC3 (0.72) AOC3
SCHEMBL28790871 0.86 AOC3 (0.72) AOC3
SCHEMBL1433124 0.86 AOC3 (0.72) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102046601-B Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2014-08-27 CN claimed
CN-102046601-B Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2014-08-27 CN disclosed
CN-102046601-A Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2011-05-04 CN disclosed