SCHEMBL9974622

SCHEMBL9974622

CCCCc1nn(-c2ncnc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c(N)c1/N=N/c1c(C(=O)CO)cnn1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ AGTR1 P30556 1/20 0.30
▸ AGTR2 P50052 1/20 0.30

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
SCHEMBL14765502 0.95 NPC1 (0.36) NPC1RAB9AALDH1A1AGTR1AGTR2
SCHEMBL9974629 0.93 KMT2A (0.31) AGTR1AGTR2
SCHEMBL9974625 0.92 KMT2A (0.31) AGTR1AGTR2
SCHEMBL9974619 0.92 KMT2A (0.31) AGTR1AGTR2
SCHEMBL10167753 0.91 NPC1 (0.39) NPC1RAB9AALDH1A1
SCHEMBL9974623 0.91 — —
SCHEMBL9974626 0.91 — —
SCHEMBL9974631 0.90 KDM5A (0.31) NPC1RAB9AAGTR1AGTR2
SCHEMBL9974617 0.90 NPC1 (0.32) NPC1RAB9AALDH1A1
SCHEMBL9974630 0.88 KMT2A (0.31) —

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-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-20120165436-A1 PIGMENT DISPERSION CONTAINING AZO PIGMENT AND AQUEOUS INK FOR INKJET RECORDING USING THE SAME 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-20120156449-A1 INK SET, RECORDING METHOD, RECORDED MATERIAL AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2012-06-21 — — US disclosed
US-20110166267-A1 AZO PIGMENT-CONTAINING AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-07-07 — — US disclosed
US-20100222472-A1 WATER-BASED INK COMPOSITION FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
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