SCHEMBL13134126

SCHEMBL13134126

CSc1nc(N=Nc2c(C)nn(-c3cc(O)nc(-n4nc(C)c(N=Nc5nc(SC)nn5-c5cc(C(=O)O)cc(C(=O)O)c5)c4N)n3)c2N)n(-c2cc(C(=O)O)cc(C(=O)O)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALOX12 P18054 1/20 0.31
▸ HTT P42858 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
SCHEMBL13134135 0.90 MAPT (0.36) MAPTRAB9ASMN1; SMN2TDP1NPC1
SCHEMBL12998661 0.75 — —
SCHEMBL12998652 0.72 XDH (0.34) MAPTRAB9ASMN1; SMN2TDP1NPC1
SCHEMBL12998684 0.70 MEN1 (0.30) MAPTRAB9ASMN1; SMN2TDP1NPC1
SCHEMBL10194345 0.70 MAPT (0.45) MAPTRAB9ASMN1; SMN2TDP1NPC1
SCHEMBL58803 0.69 MAPT (0.39) MAPTRAB9ASMN1; SMN2TDP1NPC1
SCHEMBL10194280 0.68 MAPT (0.36) MAPTRAB9ASMN1; SMN2TDP1NPC1
SCHEMBL13134127 0.68 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL13134132 0.68 PHGDH (0.35) MAPTMEN1KMT2A
SCHEMBL58810 0.67 XDH (0.41) MAPTRAB9ASMN1; SMN2TDP1NPC1

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-20100245509-A1 INK, INKJET INK, INKJET RECORDING METHOD AND METHOD FOR IMPROVING WEATHER RESISTANCE OF COLOR IMAGE MATERIAL FUJIFILM CORPORATION (JP) 2010-09-30 — — US disclosed
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