SCHEMBL8804371

SCHEMBL8804371

Cn1cc(C(=O)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.55
HTT P42858 1/20 0.54
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.51
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
MITF O75030 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL990668 0.81 NR4A2 (0.71) NR4A2HTTALDH1A1SMN1; SMN2POLB
SCHEMBL4685270 0.77 NR4A2 (0.57) NR4A2HTTALDH1A1SMN1; SMN2POLB
SCHEMBL14828742 0.76 ALDH1A1 (0.63) NR4A2HTTALDH1A1SMN1; SMN2POLB
SCHEMBL1558956 0.76 POLB (0.68) NR4A2HTTALDH1A1SMN1; SMN2POLB
SCHEMBL3242026 0.75 ALDH1A1 (0.58) NR4A2HTTALDH1A1SMN1; SMN2POLB
SCHEMBL8803982 0.74 ALDH1A1 (0.61) NR4A2HTTALDH1A1SMN1; SMN2POLB
SCHEMBL3721490 0.74 ALDH1A1 (0.61) NR4A2HTTALDH1A1SMN1; SMN2POLB
SCHEMBL461911 0.74 ALDH1A1 (0.64) NR4A2HTTALDH1A1SMN1; SMN2POLB
SCHEMBL5328102 0.74 MEN1 (0.58) HTTALDH1A1KMT2ALMNAMAPT
SCHEMBL1887873 0.72 NR4A2 (0.67) NR4A2HTTALDH1A1SMN1; SMN2POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540956-B1 Process for the manufacture of substituted maleimides HOFFMANN LA ROCHE (CH) 1997-09-03 EP disclosed
US-5399712-A Protein kinase C inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
EP-0540956-A1 Process for the manufacture of substituted maleimides F. HOFFMANN-LA ROCHE AG (CH) 1993-05-12 EP disclosed