SCHEMBL10454085

SCHEMBL10454085

COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2ncnc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.38
▸ RAB9A P51151 7/20 0.38
▸ KMT2A Q03164 7/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 7/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ TDP1 Q9NUW8 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ HTT P42858 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
SCHEMBL10172911 0.94 NPC1 (0.34) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL9972784 0.94 NPC1 (0.36) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL10452774 0.91 KMT2A (0.40) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL10452739 0.90 KMT2A (0.39) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL10454086 0.90 KMT2A (0.39) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL10453828 0.89 NPC1 (0.46) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL10234009 0.89 NPC1 (0.37) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL10454130 0.88 KMT2A (0.38) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL10454087 0.88 KMT2A (0.38) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL10453846 0.88 MAPT (0.35) NPC1RAB9AKMT2AALDH1A1MAPT

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 8 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-8393725-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2013-03-12 — — 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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