SCHEMBL3470562

SCHEMBL3470562

Cc1ccc(S(=O)(=O)n2nc(C)c3ccc(N)cc32)cc1.Cc1ccc(S(=O)(=O)n2nc(C)c3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 3/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR6 P50406 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.42
NPY5R Q15761 1/20 0.40
GAA P10253 1/20 0.39
HSP90AA1 P07900 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
PTGS2 P35354 1/20 0.38
RAB9A P51151 2/20 0.38
CXCR5 P32302 1/20 0.38
APLNR P35414 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
SCHEMBL1099850 0.93 ALDH1A1 (0.49) MAPTALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL1099865 0.89 MAPT (0.57) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL2144861 0.74 MAPT (0.50) MAPTALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL1593116 0.74 MAPK1 (0.47) MAPTALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL27859524 0.73 KMT2A (0.35) MAPTALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL4763106 0.72 KMT2A (0.45) MAPTALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL12253486 0.71 SLC9A1 (0.56) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL1593717 0.70 MAPT (0.51) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL1593401 0.70 MAPT (0.51) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL3380500 0.70 L3MBTL1 (0.52) MAPTALDH1A1L3MBTL1TDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393781-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-14 EP disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed