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SCHEMBL12414823

SCHEMBL12414823

COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(-n3nc(C)c(/N=N/c4nn(C)cc4C(=O)CO)c3N)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c1N

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL10454128 0.94 KMT2A (0.36) KMT2AMEN1TSHR
SCHEMBL10331433 0.92 KMT2A (0.38) KMT2AMEN1TSHR
SCHEMBL9972791 0.90 KMT2A (0.36) KMT2AMEN1TSHR
SCHEMBL9972790 0.89 KMT2A (0.35) KMT2AMEN1TSHR
SCHEMBL9972787 0.89 KMT2A (0.35) KMT2AMEN1TSHR
SCHEMBL9972775 0.89 KMT2A (0.35) KMT2AMEN1TSHR
SCHEMBL9972792 0.87 KMT2A (0.34) KMT2AMEN1TSHR
SCHEMBL9972794 0.87 KMT2A (0.34) KMT2AMEN1TSHR
SCHEMBL9972784 0.87 NPC1 (0.36) KMT2AMEN1TSHR
SCHEMBL12766470 0.87 KMT2A (0.34) KMT2AMEN1TSHR

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
US-8399545-B2 Azo pigment-containing aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2013-03-19 — — US disclosed
US-20110166267-A1 AZO PIGMENT-CONTAINING AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-07-07 — — US disclosed
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