SCHEMBL10454072

SCHEMBL10454072

COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)nc(O)n2)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 6/20 0.35
▸ NPC1 O15118 6/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SPR P35270 1/20 0.35
▸ PDE1C Q14123 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TDP1 Q9NUW8 5/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9972789 0.94 NPC1 (0.34) KMT2ACYP1A2CYP3A4PKMCYP2C19
SCHEMBL13159973 0.94 KMT2A (0.33) KMT2ACYP1A2CYP3A4PKMCYP2C19
SCHEMBL16328858 0.92 KMT2A (0.37) KMT2ACYP1A2CYP3A4PKMCYP2C19
SCHEMBL10452739 0.90 KMT2A (0.39) KMT2ACYP1A2CYP3A4PKMCYP2C19
SCHEMBL10453828 0.89 NPC1 (0.46) KMT2ACYP1A2CYP3A4PKMCYP2C19
SCHEMBL13131240 0.89 NPC1 (0.37) KMT2ACYP1A2CYP3A4PKMCYP2C19
SCHEMBL10452732 0.88 KMT2A (0.39) KMT2ACYP1A2CYP3A4PKMCYP2C19
SCHEMBL12759198 0.86 NPC1 (0.34) KMT2ACYP1A2CYP3A4PKMCYP2C19
SCHEMBL9972811 0.85 NPC1 (0.43) KMT2ACYP1A2CYP3A4PKMCYP2C19
SCHEMBL10453862 0.85 KMT2A (0.35) KMT2ACYP1A2CYP3A4PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835531-B2 Water-based ink composition for inkjet recording FUJIFILM CORPORATION (JP) 2014-09-16 — — US disclosed
US-8415409-B2 Radiation-curable ink composition for inkjet recording, inkjet recording method, and printed matter FUJIFILM CORPORATION (JP) 2013-04-09 — — US disclosed
US-8393725-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2013-03-12 — — US disclosed
US-8222326-B2 Water-based ink composition for inkjet recording FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-20100221506-A1 RADIATION-CURABLE INK COMPOSITION FOR INKJET RECORDING,INKJET RECORDING METHOD, AND PRINTED MATTER FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
US-20100222472-A1 WATER-BASED INK COMPOSITION FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
US-20100160504-A1 WATER-BASED INK COMPOSITION FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2010-06-24 — — US disclosed
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