SCHEMBL9850510

SCHEMBL9850510

c1cnc2c(NCCNCCNc3cccc4[nH]nnc34)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
BLM P54132 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
HTT P42858 2/20 0.42
GLO1 Q04760 2/20 0.42
ALOX15 P16050 1/20 0.42
IDH1 O75874 1/20 0.40
APAF1 O14727 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
GAA P10253 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL9850313 0.83 BCHE (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9850493 0.82 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL522650 0.80 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL9850419 0.80 JAK2 (0.44) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL9850695 0.78 HTR1A (0.58) CYP1A2
SCHEMBL9850257 0.77 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL9850386 0.76 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL9850488 0.76 MAPT (0.54) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL10837351 0.75 CA12 (0.44) MAPTALDH1A1RECQL
Hydrochloric Acid SCHEMBL9850592 0.75 BCHE (0.52) MEN1KMT2AMAPTALDH1A1L3MBTL1

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