SCHEMBL3344781

SCHEMBL3344781

Oc1c(F)cnc2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MPI P34949 1/20 0.46
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
IDO1 P14902 1/20 0.40
RECQL P46063 1/20 0.40
TDO2 P48775 1/20 0.40
BLM P54132 1/20 0.40
CASP6 P55212 1/20 0.40
COMT P21964 5/20 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
SCHEMBL2706312 0.77 HSP90AA1 (0.58) KDM4EL3MBTL1MEN1KMT2ATDP1
SCHEMBL11926273 0.77 HTT (0.46) KDM4EL3MBTL1MEN1KMT2ATDP1
SCHEMBL10883279 0.73 KDM4E (0.39) KDM4EL3MBTL1MEN1KMT2ATDP1
SCHEMBL11170566 0.73 KDM4E (0.54) KDM4EL3MBTL1MEN1KMT2ATDP1
SCHEMBL30818296 0.73 KCNMA1 (0.41) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL11926120 0.73 COMT (0.40) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6643350 0.73 KCNMA1 (0.41) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL3249138 0.73 ALDH1A1 (0.58) KDM4EL3MBTL1TDP1ALDH1A1LMNA
SCHEMBL12663631 0.73 KDM4E (0.50) KDM4EL3MBTL1MEN1KMT2ATDP1
SCHEMBL27736187 0.73 KDM4E (0.39) KDM4EL3MBTL1MEN1KMT2ATDP1

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
WO-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed