SCHEMBL9841895

SCHEMBL9841895

CC(C)(C)ON1CCOC(COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=C=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HTT P42858 3/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD4 P21917 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F2 P00734 1/20 0.33
HSD11B1 P28845 1/20 0.32

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
SCHEMBL9214380 0.69 ALDH1A1 (0.49) ALDH1A1PRMT5WDR77HTTMAPT
SCHEMBL9216185 0.69 ALDH1A1 (0.49) ALDH1A1PRMT5WDR77HTTMAPT
SCHEMBL9215446 0.69 ALDH1A1 (0.49) ALDH1A1PRMT5WDR77HTTMAPT
SCHEMBL2967442 0.67 PRMT5 (0.72) ALDH1A1PRMT5WDR77PKMGAA
SCHEMBL1164097 0.67 PRMT5 (0.72) ALDH1A1PRMT5WDR77PKMGAA
SCHEMBL9645456 0.67 PRMT5 (0.72) ALDH1A1PRMT5WDR77PKMGAA
SCHEMBL11756385 0.66 PRMT5 (0.48) ALDH1A1PRMT5WDR77HTTKCNJ1
SCHEMBL11756369 0.66 PRMT5 (0.48) ALDH1A1PRMT5WDR77HTTKCNJ1
SCHEMBL394196 0.65 ALDH1A1 (0.49) ALDH1A1PRMT5WDR77MAPTMEN1
SCHEMBL31715477 0.65 ALDH1A1 (0.49) ALDH1A1HTTMAPTMEN1KMT2A

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
EP-0411912-A2 Coumarin derivatives, their preparation and their use in the treatment of cerebrovascular disorders Sankyo Company Limited (JP) 1991-02-06 EP disclosed