SCHEMBL9974617

SCHEMBL9974617

CCCCc1nn(-c2cnc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)cn2)c(N)c1/N=N/c1c(C(=O)CO)cnn1C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL14845526 0.95 NPC1 (0.34) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10167753 0.94 NPC1 (0.39) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10167749 0.93 NPC1 (0.33) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9974628 0.91 NPC1 (0.31) NPC1RAB9AMAPT
SCHEMBL9974622 0.90 NPC1 (0.33) NPC1RAB9AALDH1A1
SCHEMBL9974631 0.89 KDM5A (0.31) NPC1RAB9A
SCHEMBL9974629 0.89 KMT2A (0.31) —
SCHEMBL9974624 0.89 — —
SCHEMBL10167755 0.88 NPC1 (0.40) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
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 8 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-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-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-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-20100221507-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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