SCHEMBL19648924

SCHEMBL19648924

Cc1cc(NNc2ccc(N3CCOCC3)cc2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.53
MAPT P10636 8/20 0.49
GAA P10253 6/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 4/20 0.49
MAPK1 P28482 3/20 0.49
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAD52 P43351 1/20 0.46
USP2 O75604 2/20 0.45
ALOX15 P16050 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX12 P18054 2/20 0.44

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
SCHEMBL19648846 0.88 GAA (0.48) MAPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL19648938 0.85 MAPT (0.46) LGMNMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL78755 0.84 LGMN (0.67) LGMNMAPTGAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2951905 0.83 LGMN (0.65) LGMNMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL19648927 0.79 MAPT (0.50) LGMNMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL30545196 0.74 LGMN (0.62) LGMNMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL375628 0.74 LGMN (0.62) LGMNMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL904452 0.72 LGMN (0.73) LGMNMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL6151434 0.71 GAA (0.77) LGMNMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL15358759 0.71 GAA (0.77) LGMNMAPTGAAALDH1A1SMN1; SMN2

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-2580289-B1 BLACK DICHROIC DYE BASF SE (DE) 2017-11-29 EP disclosed