SCHEMBL27536638

SCHEMBL27536638

CC(C=O)c1ccccc1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AKR1C3 P42330 2/20 0.44
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
NSD2 O96028 1/20 0.43
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
PDE4A P27815 1/20 0.40
KCNQ2 O43526 1/20 0.40
TSHR P16473 1/20 0.39
CRHBP P24387 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
SCHEMBL27762010 0.83 ADRA2C (0.49) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL29809671 0.82 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL4547926 0.82 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL1460357 0.79 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL21202392 0.79 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL5337121 0.79 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL17844326 0.79 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL28661298 0.79 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL28751643 0.78 L3MBTL1 (0.43) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL20078257 0.75 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AMAPTNPC1

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
CN-1252070-A 5,7-disubstituted 4-aminopyrido [2,3,-d] pyrimidine compounds and their use as adenosine kinase inhibitors ABBOTT LAB (US) 2000-05-03 CN disclosed