SCHEMBL5214868

SCHEMBL5214868

N#CCN1CCN(CC(O)C[O])CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.36
USP2 O75604 2/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL5214876 0.82 MAPT (0.57) KMT2AMEN1HSD17B10MAPTUSP2
SCHEMBL4381893 0.74 MEN1 (0.68) KMT2AMEN1HSD17B10MAPTUSP2
SCHEMBL4382056 0.74 MEN1 (0.68) KMT2AMEN1HSD17B10MAPTUSP2
SCHEMBL10476 0.74 MEN1 (0.68) KMT2AMEN1HSD17B10MAPTUSP2
SCHEMBL7571912 0.74
SCHEMBL4382567 0.74 KDM4E (0.51) KMT2AMEN1HSD17B10MAPTUSP2
SCHEMBL3276166 0.74 KDM4E (0.51) KMT2AMEN1HSD17B10MAPTUSP2
SCHEMBL4375597 0.74 KDM4E (0.51) KMT2AMEN1HSD17B10MAPTUSP2
SCHEMBL7137154 0.73 ALDH1A1 (0.50) MAPTHTTSMN1; SMN2ALDH1A1PKM
SCHEMBL11701515 0.73

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-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed