SCHEMBL5764239

SCHEMBL5764239

[O]c1ccc(Cl)cc1-c1cnc(NCc2ccccc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 6/20 0.53
HDAC6 Q9UBN7 7/20 0.45
HDAC3 O15379 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
ATM Q13315 1/20 0.45
PKM P14618 1/20 0.44
HDAC4 P56524 1/20 0.43
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
PLA2G1B P04054 1/20 0.41
HTT P42858 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL5764248 0.84 VNN1 (0.53) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL1753567 0.80 PTGDR2 (0.67) VNN1MAPTPLA2G1BHTTATG4B
SCHEMBL20185761 0.69 VNN1 (1.00) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL22191031 0.68 RECQL (0.46) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL22191191 0.67 VNN1 (0.59) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL29954826 0.66 VNN1 (0.58) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL23405896 0.66 FABP1 (0.54) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL22191269 0.66 HDAC3 (0.63) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL29743851 0.66 FABP1 (0.54) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL1394190 0.66 HPGDS (0.62) VNN1HDAC6HDAC3HDAC1HDAC2

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-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP claimed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 WO claimed