SCHEMBL10167743

SCHEMBL10167743

CCCCc1nn(-c2nc(O)nc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OC)cnn4-c4ccccc4)c3N)n2)c(N)c1/N=N/c1c(C(=O)CO)cnn1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK14 Q16539 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GPR35 Q9HC97 3/20 0.33
▸ GPR55 Q9Y2T6 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ AGTR2 P50052 1/20 0.33
▸ TSHR P16473 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
SCHEMBL14845499 0.95 ALDH1A1 (0.40) ALDH1A1HPGDMAPK14MAPTNPC1
SCHEMBL16328750 0.92 ALDH1A1 (0.37) ALDH1A1HPGDMAPK14MAPTNPC1
SCHEMBL9974619 0.89 KMT2A (0.31) AGTR1AGTR2
SCHEMBL9972805 0.88 HPGD (0.41) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL10332023 0.88 NR4A3 (0.39) ALDH1A1HPGDMAPK14NPC1RAB9A
SCHEMBL10167744 0.87 NPC1 (0.44) ALDH1A1HPGDMAPK14MAPTNPC1
SCHEMBL14765503 0.83 KMT2A (0.33) NPC1RAB9AAGTR1AGTR2TSHR
SCHEMBL9974629 0.83 KMT2A (0.31) AGTR1AGTR2TSHR
SCHEMBL9974625 0.82 KMT2A (0.31) AGTR1AGTR2
SCHEMBL10454139 0.82 HPGD (0.46) ALDH1A1HPGDMAPTNPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399545-B2 Azo pigment-containing aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2013-03-19 — — US disclosed
US-20120165437-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20120165438-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20110166267-A1 AZO PIGMENT-CONTAINING AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-07-07 — — 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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