SCHEMBL4435301

SCHEMBL4435301

Nc1cccc(N2CCOCC2)c1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.50
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 2/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.45
KEAP1 Q14145 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
SCHEMBL904453 0.83 LGMN (0.51) LGMNALDH1A1MAPTGAAMEN1
SCHEMBL31248708 0.83 LGMN (0.51) LGMNALDH1A1MAPTGAAMEN1
SCHEMBL30443433 0.82 KEAP1 (0.64) LGMNALDH1A1MAPTGAAMEN1
SCHEMBL127620 0.82 KEAP1 (0.64) LGMNALDH1A1MAPTGAAMEN1
Hydrochloric Acid SCHEMBL23536416 0.81 KEAP1 (0.62) LGMNALDH1A1MAPTGAAMEN1
Hydrochloric Acid SCHEMBL9424019 0.81 KEAP1 (0.62) LGMNALDH1A1MAPTGAAMEN1
SCHEMBL9059591 0.80 MAPT (0.52) LGMNALDH1A1MAPTGAAMEN1
SCHEMBL3727243 0.80 GAA (0.49) LGMNALDH1A1MAPTGAAKMT2A
SCHEMBL3656962 0.80 MAPT (0.53) LGMNALDH1A1MAPTGAAMEN1
SCHEMBL16943272 0.80 ALDH1A1 (0.47) LGMNALDH1A1POLBSMN1; SMN2KDM4E

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-2132184-A1 NOVEL PYRIMIDINE DERIVATIVES 698 AstraZeneca AB (SE) 2009-12-16 EP disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 WO disclosed