SCHEMBL13239253

SCHEMBL13239253

COOSc1cnn(-c2cccc(C(=O)O)c2)c1N=Nc1c(C)nn(-c2nc(O)nc(-n3nc(C)c(N=Nc4c(S(C)(=O)=O)cnn4-c4cc(C(=O)O)cc(C(=O)O)c4)c3N)n2)c1N

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.32
▸ NPC1 O15118 4/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ TDP1 Q9NUW8 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ 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
SCHEMBL10139526 0.95 — —
SCHEMBL13667261 0.89 — —
SCHEMBL13159225 0.89 — —
SCHEMBL60015 0.86 MAPT (0.35) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL12084072 0.83 MAPT (0.33) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL14780812 0.82 MAPT (0.34) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL10052076 0.82 MAPT (0.34) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL4400175 0.81 MAPT (0.34) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL12998664 0.80 MAPT (0.37) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL12998657 0.78 MAPT (0.36) MAPTNPC1RAB9ASMN1; SMN2MAPK1

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-7758683-B2 Ink composition, ink set and recording method FUJIFILM CORPORATION (JP) 2010-07-20 — — US disclosed
US-20070109376-A1 Ink composition, ink set and recording method FUJIFILM CORPORATION 2007-05-17 — — US disclosed
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