SCHEMBL9096830

SCHEMBL9096830

C[C@H](CS(=O)(=O)c1nc2ccccc2s1)N(C=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.48
▸ MAPT P10636 5/20 0.48
▸ LMNA P02545 5/20 0.48
▸ HTT P42858 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ PSMB8 P28062 1/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38

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
SCHEMBL9098113 0.79 MAPK1 (0.47) ALDH1A1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL9099211 0.78 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL12344738 0.76 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL12344745 0.74 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL29023732 0.74 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL9096833 0.72 ALOX15 (0.47) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL9096824 0.72 ALOX15 (0.47) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL30149949 0.70 ALDH1A1 (0.67) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL3595617 0.70 ALDH1A1 (0.67) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL31635992 0.69 ALDH1A1 (0.59) ALDH1A1MAPTLMNAHTTKMT2A

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-5484774-A 2, N6 -disubstituted adenosines, tri-O-ester derivatives and their pharmaceutical compositions to treat ischemias NOVO NORDISK A/S (DK) 1996-01-16 — — US disclosed
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