SCHEMBL19648927

SCHEMBL19648927

Nc1ccc(NNc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
ALDH1A1 P00352 6/20 0.50
GAA P10253 6/20 0.50
HTT P42858 5/20 0.50
KDM4E B2RXH2 5/20 0.50
KMT2A Q03164 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 3/20 0.50
ALOX15 P16050 3/20 0.50
TP53 P04637 3/20 0.50
USP2 O75604 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LGMN Q99538 1/20 0.50
PLK4 O00444 1/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL20631 0.88 MAPT (0.61) MAPTALDH1A1GAAHTTKDM4E
Hydrochloric Acid SCHEMBL16209945 0.86 MAPT (0.65) MAPTALDH1A1GAAHTTKDM4E
SCHEMBL20631313 0.86 LMNA (0.61) MAPTALDH1A1GAAHTTKDM4E
SCHEMBL19648733 0.85 MAPT (0.70) MAPTALDH1A1GAAHTTKDM4E
SCHEMBL14320289 0.82 PIK3R1 (0.59) MAPTALDH1A1GAAHTTKDM4E
SCHEMBL4386393 0.81 MAPT (0.64) MAPTALDH1A1GAAHTTKDM4E
SCHEMBL19648924 0.79 LGMN (0.53) MAPTALDH1A1GAAHTTKDM4E
Hydrochloric Acid SCHEMBL5339521 0.79 LMNA (0.52) MAPTALDH1A1GAAHTTKDM4E
SCHEMBL13370287 0.79 MAPT (0.50) MAPTALDH1A1GAAHTTKDM4E
SCHEMBL7124336 0.78 MAPT (0.75) MAPTALDH1A1HTTKMT2AMEN1

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