SCHEMBL8796899

SCHEMBL8796899

CCCOc1ccc2c(c1)OCN(CCOc1ccc(CC3NC(=O)SC3=O)cc1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.36
KDM4A O75164 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 5/20 0.35
KMT2A Q03164 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL8797483 0.92 POLB (0.35) GAAMAPTTP53LMNAPOLB
SCHEMBL8797264 0.92 ROCK2 (0.38) MAPTTP53USP2ALOX15HRH3
SCHEMBL8797305 0.90 HRH3 (0.36) MAPTLMNAPOLBKDM4AUSP2
SCHEMBL8796803 0.89 HTT (0.36) GAAMAPTLMNAPOLBKDM4A
SCHEMBL8797318 0.89 ESR1 (0.37)
SCHEMBL8797289 0.88 HRH3 (0.36) MAPTPOLBKDM4AUSP2ALOX15
SCHEMBL8797688 0.88 HRH3 (0.35) GAAMAPTTP53LMNAPOLB
SCHEMBL8797027 0.88 HRH3 (0.36) GAAMAPTTP53LMNAPOLB
SCHEMBL6953755 0.87 HRH3 (0.40) HRH3MAOB
SCHEMBL8797166 0.86 BCHE (0.38) HRH3KMT2A

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