SCHEMBL4566112

SCHEMBL4566112

Nc1cnccc1N1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC2(CC1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.44
MAPT P10636 4/20 0.43
KEAP1 Q14145 1/20 0.39
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
ALDH1A1 P00352 8/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
S100B P04271 2/20 0.36
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP2 O95551 1/20 0.36
THRB P10828 1/20 0.36
CASP3 P42574 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL4555529 0.92 LGMN (0.50) LGMNMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL11907247 0.82 MAPT (0.58) MAPTKEAP1PIM1PIM3PIM2
SCHEMBL1710364 0.82 MAPT (0.58) MAPTKEAP1PIM1PIM3PIM2
SCHEMBL11907530 0.82 MAPT (0.58) MAPTKEAP1PIM1PIM3PIM2
Hydrochloric Acid SCHEMBL30050796 0.80 MAPT (0.56) MAPTKEAP1PIM1PIM3PIM2
SCHEMBL9425930 0.80 MAPT (0.59) MAPTKEAP1PIM1PIM3PIM2
SCHEMBL30309957 0.80 MAPT (0.59) MAPTKEAP1PIM1PIM3PIM2
SCHEMBL15783989 0.77 CYP11B1 (0.54) LGMNMAPTPIM2ALDH1A1
SCHEMBL11907690 0.74 MAPT (0.50) LGMNMAPTKEAP1ALDH1A1SMN1; SMN2
SCHEMBL15783934 0.73 MAPT (0.56) MAPTALDH1A1GAAL3MBTL1KDM4E

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-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed