SCHEMBL27820187

SCHEMBL27820187

O=C(O)CCCC(c1c[nH]c2ccccc12)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
POLB P06746 2/20 0.46
ADAM17 P78536 1/20 0.46
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MGAM O43451 6/20 0.45
GAA P10253 6/20 0.45
SI P14410 6/20 0.45

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
SCHEMBL1306354 0.83 HDAC3 (0.67) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL1307627 0.79 HDAC3 (0.74) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL1308378 0.78 HDAC3 (0.76) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL1305729 0.78 HDAC3 (0.76) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL28592536 0.77 GPR84 (0.59) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL1307547 0.77 HDAC3 (0.67) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL27400767 0.76 GPR84 (0.59) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL4726274 0.75 TBXAS1 (0.42) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL8661431 0.74 HDAC3 (0.56) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL23292956 0.73 MGAM (0.64) MEN1KMT2AHDAC3HDAC1HDAC2

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-102202507-A Triazole beta-carboline derivatives as antidiabetic compounds MERCK SHARP & DOHME 2011-09-28 CN disclosed