SCHEMBL9972812

SCHEMBL9972812

COC(=O)c1cnn(-c2nc3ccccc3s2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)CO)cnn4-c4nc5ccccc5s4)c3N)ncn2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.41
▸ RAB9A P51151 8/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 10/20 0.40
▸ LMNA P02545 3/20 0.40
▸ DUSP3 P51452 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37

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
SCHEMBL10454125 0.95 NPC1 (0.45) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9974658 0.89 NPC1 (0.39) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10136044 0.86 RAB9A (0.48) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9972810 0.85 NPC1 (0.39) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9972806 0.85 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10331432 0.85 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9972809 0.84 NPC1 (0.39) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL14845502 0.84 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9972808 0.84 NPC1 (0.43) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL4068359 0.83 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8641785-B2 Aqueous pigment dispersion and aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2014-02-04 — — US disclosed
US-8580025-B2 Ink set, recording method, recorded material and printed material FUJIFILM CORPORATION (JP) 2013-11-12 — — US disclosed
US-8500897-B2 Ink set, recorded material and printed material FUJIFILM CORPORATION (JP) 2013-08-06 — — US disclosed
US-8399545-B2 Azo pigment-containing aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2013-03-19 — — US disclosed
US-8348408-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2013-01-08 — — US disclosed
US-8328344-B2 Aqueous ink composition for inkjet recording and image forming method FUJIFILM CORPORATION (JP) 2012-12-11 — — US disclosed
US-8222410-B2 Azo pigments, and pigment dispersion, coloring composition and ink for inkjet recording containing the azo pigment FUJIFILM CORPORATION (JP) 2012-07-17 — — 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-20120165437-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INKJET 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-20110050790-A1 INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
US-20110050784-A1 AQUEOUS INK COMPOSITION FOR INKJET RECORDING AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
US-20110021763-A1 AZO PIGMENTS, AND PIGMENT DISPERSION, COLORING COMPOSITION AND INK FOR INKJET RECORDING CONTAINING THE AZO PIGMENT FUJIFILM CORPORATION (JP) 2011-01-27 — — US disclosed
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