SCHEMBL19648765

SCHEMBL19648765

CCN(CC)c1ccc(NNc2ccc(NNc3ccc(F)cc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
GAA P10253 3/20 0.69
ALDH1A1 P00352 3/20 0.69
MAPK1 P28482 2/20 0.69
KDM4E B2RXH2 1/20 0.69
THRB P10828 1/20 0.69
HTT P42858 1/20 0.69
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 2/20 0.48
ALOX12 P18054 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NOX1 Q9Y5S8 2/20 0.47

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
SCHEMBL6984098 0.87 ALDH1A1 (0.66) MAPTGAAALDH1A1MAPK1KDM4E
SCHEMBL4641211 0.82 MAPT (0.50) MAPTGAAALDH1A1MAPK1KDM4E
SCHEMBL13181137 0.81 ALDH1A1 (0.59) MAPTGAAALDH1A1MAPK1KDM4E
SCHEMBL3067983 0.80 CNR2 (0.71) MAPTGAAALDH1A1MAPK1KDM4E
SCHEMBL19648813 0.80 ALDH1A1 (0.76) MAPTGAAALDH1A1MAPK1KDM4E
Hydrochloric Acid SCHEMBL3069408 0.79 CNR2 (0.69) MAPTGAAALDH1A1MAPK1KDM4E
Hydrochloric Acid SCHEMBL4736123 0.79 CNR2 (0.69) MAPTGAAALDH1A1MAPK1KDM4E
SCHEMBL3069128 0.78 RAB9A (0.71) MAPTGAAALDH1A1MAPK1KDM4E
SCHEMBL7664793 0.76 ADRA2A (0.58) MAPTGAAALDH1A1MAPK1KDM4E
SCHEMBL12069745 0.76 MAPT (0.54) MAPTGAAALDH1A1MAPK1KDM4E

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