SCHEMBL8958784

SCHEMBL8958784

Cc1ccc(C(=O)c2ccc(N)c(S(=O)(=O)O)c2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
CDC25B P30305 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37

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
SCHEMBL8958603 0.85 ALDH1A1 (0.52) MAPTNPC1MAPK1HTTCDC25B
SCHEMBL1377299 0.81 CDC25B (0.56) MAPTNPC1MAPK1HTTCDC25B
SCHEMBL21636265 0.79 ALDH1A1 (0.45) MAPTNPC1MAPK1HTTALDH1A1
SCHEMBL153905 0.79 TDP1 (0.48) MAPTNPC1MAPK1HTTCDC25B
SCHEMBL29659353 0.79 TDP1 (0.48) MAPTNPC1MAPK1HTTCDC25B
SCHEMBL3844195 0.78 TDP1 (0.46) MAPTNPC1MAPK1HTTCDC25B
Methylamine SCHEMBL7900082 0.78 TDP1 (0.46) MAPTNPC1MAPK1HTTCDC25B
Nitrogen SCHEMBL28473363 0.76 TDP1 (0.45) MAPTNPC1MAPK1HTTCDC25B
SCHEMBL10952578 0.76 ALDH1A1 (0.58) MAPTNPC1MAPK1HTTL3MBTL1
SCHEMBL7790459 0.75 ALDH1A1 (0.50) MAPTNPC1MAPK1HTTL3MBTL1

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
US-5510468-A FOR DYEING NATURAL OR SYNTHETIC SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
EP-0572450-A1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS. BASF AG (DE) 1993-12-08 EP disclosed
WO-1992014791-A1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1992-09-03 WO disclosed