SCHEMBL28449944

SCHEMBL28449944

O=C(OCc1ccccc1)N1CC(C2OCCCCC2O)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 0.43
PDE4B Q07343 2/20 0.43
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 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
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL20799603 0.79 SMN1; SMN2 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16321021 0.79 SMN1; SMN2 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3717717 0.79 SMN1; SMN2 (0.64) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5768714 0.78 SMN1; SMN2 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL615225 0.78 SMN1; SMN2 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31623232 0.77 SMN1; SMN2 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9929273 0.77 SMN1; SMN2 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2621382 0.77 SMN1; SMN2 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL70761 0.77 SMN1; SMN2 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL70762 0.77 SMN1; SMN2 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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