SCHEMBL8797305

SCHEMBL8797305

Cc1ccc2c(c1)OCN(CCOc1ccc(CC3NC(=O)SC3=O)cc1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.36
ALDH1A1 P00352 6/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RCE1 Q9Y256 1/20 0.35
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOB P27338 2/20 0.34
KDM4A O75164 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL8796841 0.96 HRH3 (0.39) HRH3ALDH1A1MEN1POLBMAPT
SCHEMBL8797264 0.91 ROCK2 (0.38) HRH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL8796899 0.90 GAA (0.38) HRH3ALDH1A1POLBMAPTKMT2A
SCHEMBL8797027 0.90 HRH3 (0.36) HRH3ALDH1A1MEN1POLBMAPT
SCHEMBL8797483 0.90 POLB (0.35) HRH3ALDH1A1POLBMAPTKMT2A
SCHEMBL8797318 0.89 ESR1 (0.37)
SCHEMBL8797289 0.89 HRH3 (0.36) HRH3MEN1POLBMAPTKMT2A
SCHEMBL6953755 0.88 HRH3 (0.40) HRH3HPGDNPSR1MAOB
SCHEMBL8797166 0.87 BCHE (0.38) HRH3KMT2A
SCHEMBL8797688 0.87 HRH3 (0.35) HRH3ALDH1A1MEN1POLBMAPT

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
EP-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 EP disclosed