SCHEMBL2659565

SCHEMBL2659565

C=C(OC)c1ccc(C)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
MAPT P10636 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL7713081 0.81 DGAT1 (0.45) HDAC1HDAC6KDM4EKMT2AL3MBTL1
SCHEMBL21450809 0.81 HDAC1 (0.44) HDAC1HDAC6KDM4EKMT2AKCNQ3
SCHEMBL123712 0.77 HDAC1 (0.52) HDAC1HDAC6KDM4EKMT2AKCNQ3
SCHEMBL18460741 0.77 MAPK1 (0.34) HDAC1HDAC6KDM4EMAPK1L3MBTL1
SCHEMBL8192122 0.77 HDAC1 (0.52) HDAC1HDAC6KDM4EKMT2AKCNQ3
SCHEMBL21004360 0.76 HDAC1 (0.61) HDAC1HDAC6KDM4EKMT2AKCNQ3
SCHEMBL12204514 0.76 HDAC1 (0.52) HDAC1HDAC6KDM4EMAPK1KMT2A
SCHEMBL13864292 0.76 HDAC1 (0.52) HDAC1HDAC6KDM4EKMT2AKCNQ3
SCHEMBL30574349 0.76 MAPK1 (0.67) HDAC1HDAC6KDM4EMAPK1KMT2A
SCHEMBL64763 0.76 MAPK1 (0.67) HDAC1HDAC6KDM4EMAPK1KMT2A

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-1406620-B1 VINYL PHENYL DERIVATIVES AS GLK ACTIVATORS ASTRAZENECA AB (SE) 2006-11-02 EP disclosed