SCHEMBL12589946

SCHEMBL12589946

CCOC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=CC(=Cc1c(OCC)nn(-c2ccc(C(=O)O)cc2)c1O)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MEN1 O00255 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KAT8 Q9H7Z6 8/20 0.38
▸ EP300 Q09472 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ APEX1 P27695 1/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ GALK1 P51570 1/20 0.34
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33

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
SCHEMBL12589948 0.87 KMT2A (0.46) KMT2ATDP1MEN1ALDH1A1KAT8
SCHEMBL12646745 0.77 KMT2A (0.43) KMT2ATDP1MEN1ALDH1A1KAT8
SCHEMBL12646690 0.72 KAT8 (0.37) KMT2AMEN1KAT8EP300APEX1
SCHEMBL14462112 0.72 KMT2A (0.41) KMT2ATDP1MEN1ALDH1A1KAT8
SCHEMBL14065937 0.69 ALDH1A1 (0.50) KMT2ATDP1MEN1ALDH1A1KAT8
SCHEMBL13377579 0.68 KAT8 (0.58) KMT2ATDP1MEN1ALDH1A1KAT8
SCHEMBL14065942 0.68 EP300 (0.47) KMT2AMEN1ALDH1A1KAT8EP300
SCHEMBL12522408 0.67 KAT8 (0.63) KMT2ATDP1MEN1ALDH1A1KAT8
SCHEMBL13092706 0.67 KAT8 (0.63) KMT2ATDP1MEN1ALDH1A1KAT8
SCHEMBL15964157 0.65 PTGS2 (0.37) KMT2ATDP1MEN1ALDH1A1KAT8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968271-B2 Photosensitive recording material, planographic printing plate precursor, and stacks of the same FUJIFILM CORPORATION (JP) 2011-06-28 — — US disclosed
US-20070212644-A1 Photosensitive recording material, planographic printing plate precursor, and stacks of the same FUJIFILM CORPORATION (JP) 2007-09-13 — — US disclosed
US-20070212644-A1 Photosensitive recording material, planographic printing plate precursor, and stacks of the same FUJIFILM CORPORATION (JP) 2007-09-13 — — US disclosed
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