SCHEMBL10453846

SCHEMBL10453846

COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2ccnc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.35
▸ NPC1 O15118 8/20 0.35
▸ RAB9A P51151 7/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ TSHR P16473 1/20 0.31
▸ PDE1C Q14123 2/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL9972786 0.94 NPC1 (0.33) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL13159972 0.94 MAPT (0.32) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL10234009 0.89 NPC1 (0.37) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL10454085 0.88 NPC1 (0.38) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL13131240 0.86 NPC1 (0.37) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL10452732 0.86 KMT2A (0.39) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL14878323 0.86 KDM5A (0.33) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL10452774 0.85 KMT2A (0.40) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL10453828 0.85 NPC1 (0.46) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL10454086 0.84 KMT2A (0.39) MAPTNPC1RAB9AALDH1A1LMNA

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-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-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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