SCHEMBL12552959

SCHEMBL12552959

Cc1nn(-c2nc(O)nc(-n3nc(C)c(N=Nc4c(S(C)(=O)=O)c(C)nn4-c4cc(OC=O)cc(C(=O)O)c4)c3N)n2)c(N)c1N=Nc1c(S(C)(=O)=O)c(C)nn1-c1cc(OC=O)cc(C(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GAA P10253 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
SCHEMBL10052076 0.89 MAPT (0.34) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL12552944 0.87 MAPT (0.38) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL12552951 0.84 XDH (0.38) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL12052399 0.84 XDH (0.38) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL12552946 0.82 NPC1 (0.34) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL60015 0.80 MAPT (0.35) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL58803 0.79 MAPT (0.39) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL4400175 0.79 MAPT (0.34) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL12052403 0.78 MEN1 (0.33) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL12552937 0.78 MEN1 (0.33) MAPTNPC1RAB9ASMN1; SMN2TDP1

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-20110141186-A1 INK SET, INK CARTRIDGE, INK JET RECORDING METHOD, AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2011-06-16 — — US disclosed
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