SCHEMBL10454125

SCHEMBL10454125

COC(=O)c1cnn(-c2nc3ccccc3s2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4nc5ccccc5s4)c3N)ncn2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.45
▸ RAB9A P51151 8/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 9/20 0.43
▸ LMNA P02545 3/20 0.43
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL9972812 0.95 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL14845502 0.87 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL16329556 0.85 RAB9A (0.53) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9974658 0.84 NPC1 (0.39) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10453865 0.83 NPC1 (0.49) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10453727 0.83 NPC1 (0.49) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10454156 0.83 NPC1 (0.43) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10454124 0.83 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10453869 0.82 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10453828 0.81 NPC1 (0.46) NPC1RAB9AALDH1A1MAPTLMNA

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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