SCHEMBL12998657

SCHEMBL12998657

Cc1nn(-c2nc(O)nc(-n3nc(C)c(N=Nc4c(S(C)(=O)=O)cnn4-c4ccc(C(=O)O)c(C(=O)O)c4)c3N)n2)c(N)c1N=Nc1c(S(C)(=O)=O)cnn1-c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ MAPK1 P28482 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL60015 0.87 MAPT (0.35) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL12052398 0.86 XDH (0.39) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL12084072 0.84 MAPT (0.33) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL10052076 0.82 MAPT (0.34) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL4400175 0.81 MAPT (0.34) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL14780812 0.81 MAPT (0.34) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL13762783 0.80 XDH (0.35) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL12998643 0.80 XDH (0.34) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL10332024 0.80 RAB9A (0.48) MAPTRAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL12998664 0.79 MAPT (0.37) MAPTRAB9ASMN1; SMN2MAPK1NPC1

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-8372190-B2 Ink set, inkjet recording method and recorded material FUJIFILM CORPORATION (JP) 2013-02-12 — — US disclosed
US-20100302305-A1 INK SET, INKJET RECORDING METHOD AND RECORDED MATERIAL FUJIFILM CORPORATION (JP) 2010-12-02 — — US disclosed
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