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SCHEMBL22926378

SCHEMBL22926378

CCCCC(CC)Cn1c(O)c(N=Nc2ccc(S(=O)(=O)NCC(C)OC(=O)CCCCC(=O)OC(C)CNS(=O)(=O)c3ccc(N=Nc4c(C)c(C#N)c(=O)n(CC(CC)CCCC)c4O)c(C)c3)c(C)c2)c(C)c(C#N)c1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL23005770 0.94 MAPT (0.35) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL24449164 0.93 MAPT (0.34) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL24449163 0.92 MAPT (0.34) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL23791717 0.81 MAPT (0.34) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL22892174 0.80 MAPT (0.34) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL24450035 0.78 MAPT (0.43) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL20024297 0.77 MAPT (0.47) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL20024341 0.76 MAPT (0.47) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL13398373 0.74 MAPT (0.43) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL20024291 0.74 MAPT (0.47) ALDH1A1MAPTMEN1KMT2APKM

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-20210024737-A1 COLORED RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-01-28 — — US disclosed
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