SCHEMBL8723577

SCHEMBL8723577

N=C(N)NCCc1ccc(Nc2[c]cccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
ST14 Q9Y5Y6 2/20 0.38
IDO1 P14902 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.35
MT-CO2 P00403 1/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
F2 P00734 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL8721644 0.86 PIM1 (0.34) MAPTGAAMEN1KMT2AST14
SCHEMBL8723581 0.81 ST14 (0.42) LMNAMAPTGAAMEN1KMT2A
SCHEMBL7848802 0.81 KDM4E (0.51) LMNAMAPTALDH1A1MT-CO2SMN1; SMN2
SCHEMBL8721599 0.78 MAPT (0.40) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL8727224 0.76 ALDH1A1 (0.35) LMNAMAPTGAAMEN1KMT2A
SCHEMBL8721632 0.75 F2 (0.44) KMT2AST14F2
SCHEMBL8722523 0.75 TSHR (0.40) ALDH1A1MAPK1SIRT2
SCHEMBL17198821 0.74 NPC1 (0.55) LMNAGAAALDH1A1ST14IDO1
SCHEMBL6682075 0.74 ST14 (0.45) LMNAGAAKMT2AST14IDO1
[11C]Phenethylguanidine SCHEMBL837644 0.74 NPC1 (0.59) LMNAMAPTGAAALDH1A1IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed