SCHEMBL10452732

SCHEMBL10452732

COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2ccc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)nn2)c1N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPC1 O15118 8/20 0.38
▸ RAB9A P51151 7/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 9/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TDP1 Q9NUW8 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HPGD P15428 4/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TSHR P16473 1/20 0.34

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
SCHEMBL9972782 0.93 MAPT (0.36) KMT2ACYP1A2CYP2C19CYP3A4PKM
SCHEMBL13131240 0.91 NPC1 (0.37) KMT2ACYP1A2CYP2C19CYP3A4PKM
SCHEMBL12759170 0.90 MAPT (0.34) KMT2ACYP1A2CYP2C19CYP3A4PKM
SCHEMBL10453828 0.89 NPC1 (0.46) KMT2ACYP1A2CYP2C19CYP3A4PKM
SCHEMBL16328858 0.88 KMT2A (0.37) KMT2ACYP1A2CYP2C19CYP3A4PKM
SCHEMBL10454072 0.88 KMT2A (0.37) KMT2ACYP1A2CYP2C19CYP3A4PKM
SCHEMBL10452777 0.87 NPC1 (0.35) KMT2ACYP1A2CYP2C19CYP3A4PKM
SCHEMBL10135950 0.86 KMT2A (0.36) KMT2ACYP1A2CYP2C19CYP3A4PKM
SCHEMBL10453846 0.86 MAPT (0.35) KMT2ACYP1A2CYP2C19CYP3A4PKM
SCHEMBL9972811 0.85 NPC1 (0.43) KMT2ACYP1A2CYP2C19CYP3A4PKM

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 9 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-8426495-B2 Radiation-curable ink composition for inkjet recording, inkjet recording method, and printed matter FUJIFILM CORPORATION (JP) 2013-04-23 — — 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-8222326-B2 Water-based ink composition for inkjet recording FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-20100240812-A1 OIL-BASED INKJET RECORDING INK FUJIFILM CORPORATION (JP) 2010-09-23 — — 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-20100221507-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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