SCHEMBL10453678

SCHEMBL10453678

COC(=O)c1nnn(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)nnn4C)c3N)ncn2)c1N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.38
▸ TP53 P04637 1/20 0.36
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 6/20 0.35
▸ LMNA P02545 3/20 0.35
▸ HPGD P15428 4/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.32
▸ TDP1 Q9NUW8 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ SLC34A1 Q06495 2/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP2C19 P33261 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL12414817 0.94 GAA (0.34) GAATP53RAB9ANPC1ALDH1A1
SCHEMBL10453830 0.86 HPGD (0.41) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10453828 0.83 NPC1 (0.46) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL13159982 0.82 HPGD (0.38) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL12506759 0.80 — —
SCHEMBL9972778 0.80 HPGD (0.37) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL9972811 0.80 NPC1 (0.43) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10454069 0.80 GABRP (0.38) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10452822 0.78 MAPT (0.38) GAARAB9ANPC1ALDH1A1MAPT
SCHEMBL10453754 0.78 NPC1 (0.42) TP53RAB9ANPC1ALDH1A1MAPT

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-8222326-B2 Water-based ink composition for inkjet recording FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-20100160504-A1 WATER-BASED INK COMPOSITION FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2010-06-24 — — US disclosed
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