SCHEMBL4068933

SCHEMBL4068933

COC(=O)c1c(C)nn(C)c1N=Nc1c(C)nn(-c2cc(-n3nc(C)c(N=Nc4c(C(=O)CO)cnn4C)c3N)ncn2)c1N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC34A1 Q06495 9/20 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
SCHEMBL4068359 0.92 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9972776 0.92 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9972778 0.92 HPGD (0.37) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10453830 0.89 HPGD (0.41) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL16503929 0.87 NPC1 (0.42) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10136115 0.86 HPGD (0.33) HPGD
SCHEMBL10453828 0.86 NPC1 (0.46) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL13159982 0.84 HPGD (0.38) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9972784 0.83 NPC1 (0.36) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL9972789 0.83 NPC1 (0.34) 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 5 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-20120165437-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-8172910-B2 Azo pigment, process for producing azo pigment, and dispersion and coloring composition containing azo pigment FUJIFILM CORPORATION (JP) 2012-05-08 — — US disclosed
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