SCHEMBL10278800

SCHEMBL10278800

CCCCc1nn(-c2cc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OC)ncn4C)c3N)ncn2)c(N)c1/N=N/c1c(C(=O)CO)ncn1C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL12506759 0.86 — —
SCHEMBL10167753 0.82 NPC1 (0.39) NPC1ALDH1A1RAB9A
SCHEMBL10167889 0.82 SLC34A1 (0.32) —
SCHEMBL10278699 0.81 — —
SCHEMBL12506760 0.81 — —
SCHEMBL10456879 0.80 NPC1 (0.42) NPC1ALDH1A1RAB9A
SCHEMBL14548533 0.80 GABRP (0.32) ALDH1A1
SCHEMBL10332134 0.80 NPC1 (0.34) NPC1ALDH1A1RAB9A
SCHEMBL14845512 0.79 SLC34A1 (0.34) NPC1ALDH1A1RAB9A
SCHEMBL10278783 0.78 NPC1 (0.35) NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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