SCHEMBL13131240

SCHEMBL13131240

COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2cnc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)cn2)c1N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.37
▸ RAB9A P51151 8/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 8/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ HPGD P15428 3/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TDP1 Q9NUW8 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SPR P35270 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL9972788 0.93 MAPT (0.33) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10453828 0.92 NPC1 (0.46) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10452732 0.91 KMT2A (0.39) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL16328858 0.89 KMT2A (0.37) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10454072 0.89 KMT2A (0.37) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9972811 0.88 NPC1 (0.43) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10234009 0.88 NPC1 (0.37) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10454085 0.87 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10135950 0.87 KMT2A (0.36) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10453846 0.86 MAPT (0.35) 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 5 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-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
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