SCHEMBL28449945

SCHEMBL28449945

O=C(OCc1ccccc1)N1CC(O)(C2CCCCCO2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.46
PREP P48147 1/20 0.46
GRIN2B Q13224 1/20 0.43
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
PDE4B Q07343 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2C P18825 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ENPP2 Q13822 1/20 0.41
ATXN2 Q99700 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL1488893 0.78 SMN1; SMN2 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1488901 0.77 SMN1; SMN2 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3114029 0.76 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1488726 0.76 SMN1; SMN2 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3098746 0.76 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2721261 0.76 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31631356 0.74 DDB1 (0.41)
SCHEMBL31631348 0.74 DDB1 (0.41)
SCHEMBL31631355 0.74 DDB1 (0.41)
SCHEMBL31631368 0.74 DDB1 (0.41)

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
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 CN disclosed