SCHEMBL9850488

SCHEMBL9850488

Cc1ccccc1NCCNCCNc1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
HTT P42858 5/20 0.54
SLC40A1 Q9NP59 4/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
NSD2 O96028 1/20 0.50
BLM P54132 1/20 0.50
KDR P35968 2/20 0.49
GLO1 Q04760 3/20 0.49
ALOX15 P16050 1/20 0.49
GAA P10253 2/20 0.48
RECQL P46063 1/20 0.48
BCHE P06276 1/20 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
SCHEMBL9850506 0.89 HTR1A (0.48) MAPTHTTSLC40A1KMT2AMEN1
Hydrochloric Acid SCHEMBL9850493 0.86 MEN1 (0.52) MAPTHTTSLC40A1KMT2AMEN1
SCHEMBL522650 0.84 MEN1 (0.59) MAPTHTTSLC40A1KMT2AMEN1
SCHEMBL9850257 0.84 MEN1 (0.51) MAPTHTTSLC40A1KMT2AMEN1
SCHEMBL9850386 0.83 MEN1 (0.64) MAPTHTTKMT2AMEN1ALDH1A1
SCHEMBL9850416 0.82 MEN1 (0.59) MAPTHTTSLC40A1KMT2AMEN1
Hydrochloric Acid SCHEMBL9850592 0.82 BCHE (0.52) MAPTHTTSLC40A1KMT2AMEN1
SCHEMBL9850720 0.80 RAB9A (0.48) MAPTHTTSLC40A1KMT2AMEN1
SCHEMBL9850583 0.80 MEN1 (0.51) MAPTHTTSLC40A1KMT2AMEN1
SCHEMBL9850394 0.80 SLC40A1 (0.55) MAPTHTTSLC40A1KMT2AMEN1

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-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed