SCHEMBL10453830

SCHEMBL10453830

COC(=O)c1c(C)nn(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)c(C)nn4C)c3N)ncn2)c1N

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SLC34A1 Q06495 14/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13159982 0.95 HPGD (0.38) HPGDNPC1ALDH1A1RAB9AMAPT
SCHEMBL9972778 0.93 HPGD (0.37) HPGDNPC1ALDH1A1RAB9AMAPT
SCHEMBL10454069 0.89 GABRP (0.38) HPGDNPC1ALDH1A1RAB9AMAPT
SCHEMBL4068933 0.89 NPC1 (0.37) HPGDNPC1ALDH1A1RAB9AMAPT
SCHEMBL10454068 0.87 TP53 (0.44) HPGDNPC1ALDH1A1RAB9AMAPT
SCHEMBL14845512 0.86 SLC34A1 (0.34) HPGDNPC1ALDH1A1RAB9AMAPT
SCHEMBL10453678 0.86 GAA (0.38) HPGDNPC1ALDH1A1RAB9AMAPT
SCHEMBL13159980 0.85 GABRP (0.35) HPGDNPC1ALDH1A1RAB9AMAPT
SCHEMBL10454081 0.85 MAPT (0.41) HPGDNPC1ALDH1A1RAB9AMAPT
SCHEMBL10453828 0.84 NPC1 (0.46) HPGDNPC1ALDH1A1RAB9AMAPT

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-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-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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