SCHEMBL9850720

SCHEMBL9850720

Cc1nnc(NCCNCCNc2cccc3cccnc23)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 3/20 0.43
NSD2 O96028 2/20 0.43
KDM4E B2RXH2 2/20 0.43
BLM P54132 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 3/20 0.41
ALOX15 P16050 1/20 0.41
GLO1 Q04760 1/20 0.41

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
SCHEMBL9850566 0.85 NPC1 (0.55) RAB9ANPC1L3MBTL1POLBKMT2A
SCHEMBL9850383 0.81 KMT2A (0.46) RAB9ANPC1L3MBTL1KMT2AMEN1
SCHEMBL9850506 0.80 HTR1A (0.48) RAB9ANPC1L3MBTL1POLBKMT2A
SCHEMBL9850488 0.80 MAPT (0.54) RAB9ANPC1L3MBTL1POLBKMT2A
Hydrochloric Acid SCHEMBL9850592 0.79 BCHE (0.52) RAB9ANPC1L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL9850493 0.78 MEN1 (0.52) L3MBTL1POLBKMT2AMEN1MAPT
SCHEMBL9850631 0.78 NPC1 (0.55) RAB9ANPC1L3MBTL1POLBKMT2A
SCHEMBL9850410 0.77 HTR1A (0.62) RAB9ANPC1L3MBTL1POLBKMT2A
SCHEMBL522650 0.76 MEN1 (0.59) L3MBTL1POLBKMT2AMEN1MAPT
SCHEMBL9850257 0.76 MEN1 (0.51) RAB9ANPC1L3MBTL1KMT2AMEN1

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