SCHEMBL10194345

SCHEMBL10194345

CSc1nc(N=Nc2c(C)nn(-c3nc(O)nc(-n4nc(C)c(N=Nc5nc(CS)nn5-c5ccccc5)c4N)n3)c2N)n(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.45
▸ RAB9A P51151 10/20 0.45
▸ SMN1; SMN2 Q16637 9/20 0.45
▸ NPC1 O15118 9/20 0.45
▸ HPGD P15428 6/20 0.45
▸ TDP1 Q9NUW8 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPK1 P28482 7/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ LMNA P02545 4/20 0.39
▸ NFKB1 P19838 3/20 0.35
▸ NFKB2 Q00653 3/20 0.35
▸ RELA Q04206 3/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ ATG4B Q9Y4P1 1/20 0.35
▸ GAA P10253 2/20 0.34

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
SCHEMBL10194349 0.80 SMN1; SMN2 (0.57) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL13134135 0.79 MAPT (0.36) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL10194260 0.72 NPC1 (0.31) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL10052057 0.70 SMN1; SMN2 (0.48) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL10332024 0.70 RAB9A (0.48) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL13134127 0.69 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL824849 0.68 MAPT (0.60) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL10194353 0.68 MAPT (0.54) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL10454139 0.67 HPGD (0.46) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL10194298 0.66 MAPT (0.46) MAPTRAB9ASMN1; SMN2NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8118885-B2 Azo pigments, process for producing the azo pigments, and pigment dispersion, coloring composition and ink for inkjet recording containing the pigment FUJIFILM CORPORATION (JP) 2012-02-21 — — US disclosed
US-20110030583-A1 AZO PIGMENTS, PROCESS FOR PRODUCING THE AZO PIGMENTS, AND PIGMENT DISPERSION, COLORING COMPOSITION AND INK FOR INKJET RECORDING CONTAINING THE PIGMENT FUJIFILM COPORATION (JP) 2011-02-10 — — US disclosed
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