SCHEMBL9850583

SCHEMBL9850583

c1ccc2cc(NCCNCCNc3cccc4cccnc34)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
GLO1 Q04760 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 4/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.47
BLM P54132 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NSD2 O96028 1/20 0.47
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 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
Hydrochloric Acid SCHEMBL9850559 0.84 MEN1 (0.46) MEN1KMT2AGLO1MAPTALDH1A1
Hydrochloric Acid SCHEMBL9850493 0.83 MEN1 (0.52) MEN1KMT2AGLO1TDP1MAPT
SCHEMBL9850444 0.82 INSR (0.41) MEN1KMT2AMAPTALDH1A1BLM
SCHEMBL522650 0.81 MEN1 (0.59) MEN1KMT2AGLO1TDP1MAPT
SCHEMBL9850257 0.81 MEN1 (0.51) MEN1KMT2AGLO1TDP1MAPT
SCHEMBL9850623 0.80 ALDH1A1 (0.51) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL9850488 0.80 MAPT (0.54) MEN1KMT2AGLO1TDP1MAPT
SCHEMBL9850386 0.80 MEN1 (0.64) MEN1KMT2AGLO1TDP1MAPT
SCHEMBL9850544 0.79 CA12 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1008539 0.79 MEN1 (0.59) MEN1KMT2AGLO1TDP1MAPT

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