SCHEMBL7879245

SCHEMBL7879245

NC(=O)c1cccnc1NC(=O)[CH]CCCCNC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 6/20 0.42
GSK3A P49840 3/20 0.42
MAPK10 P53779 3/20 0.42
MAPK8 P45983 1/20 0.40
HIPK1 Q86Z02 1/20 0.40
SNRK Q9NRH2 1/20 0.40
HDAC3 O15379 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ROCK2 O75116 7/20 0.39
ANO1 Q5XXA6 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7873394 0.78 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7868172 0.77 HPGD (0.42) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7873416 0.77 ANPEP (0.49) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7873448 0.72 MAPT (0.48) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30940788 0.68 MEN1 (0.52) RIOK2GSK3AMAPK10MAPK8HIPK1
SCHEMBL7879250 0.68 ANPEP (0.60) RIOK2GSK3AMAPK10MAPK8HIPK1
SCHEMBL24821175 0.67 TRPV1 (0.52) RIOK2GSK3AMAPK10MAPK8HIPK1
SCHEMBL7354818 0.67 MEN1 (0.51) RIOK2GSK3AMAPK10MAPK8HIPK1
SCHEMBL29373901 0.67 RIOK2 (0.62) RIOK2GSK3AMAPK10MAPK8HIPK1
SCHEMBL28692611 0.67 RIOK2 (0.62) RIOK2GSK3AMAPK10MAPK8HIPK1

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
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed