SCHEMBL12414817

SCHEMBL12414817

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 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
SCHEMBL10453678 0.94 GAA (0.38) GAATP53MAPTLMNANPC1
SCHEMBL12506759 0.87 — —
SCHEMBL9972778 0.84 HPGD (0.37) MAPTLMNANPC1ALDH1A1RAB9A
SCHEMBL9972776 0.81 NPC1 (0.42) TP53MAPTLMNANPC1ALDH1A1
SCHEMBL4068359 0.81 NPC1 (0.42) TP53MAPTLMNANPC1ALDH1A1
SCHEMBL10453830 0.80 HPGD (0.41) MAPTLMNANPC1ALDH1A1RAB9A
SCHEMBL4068933 0.80 NPC1 (0.37) MAPTLMNANPC1ALDH1A1RAB9A
SCHEMBL10233992 0.79 MAPT (0.34) MAPTLMNANPC1ALDH1A1RAB9A
SCHEMBL10453828 0.78 NPC1 (0.46) TP53MAPTLMNANPC1ALDH1A1
SCHEMBL10331428 0.77 NPC1 (0.36) MAPTLMNANPC1ALDH1A1RAB9A

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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