SCHEMBL9846313

SCHEMBL9846313

CCc1cc(/C=C/c2nc3c(o2)CCCC3)c(OCc2ccccc2)nc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GRM1 Q13255 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PDGFRB P09619 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
SCHEMBL9846315 1.00 L3MBTL1 (0.36) L3MBTL1HCAR2SMN1; SMN2STAT3HTT
SCHEMBL9336639 0.81 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2STAT3HTTMEN1
SCHEMBL9338293 0.81 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2STAT3HTTMEN1
SCHEMBL9846413 0.77 L3MBTL1 (0.39) L3MBTL1HCAR2SMN1; SMN2STAT3HTT
SCHEMBL9846410 0.77 L3MBTL1 (0.39) L3MBTL1HCAR2SMN1; SMN2STAT3HTT
SCHEMBL9338308 0.75 L3MBTL1 (0.48) L3MBTL1HCAR2SMN1; SMN2STAT3HTT
SCHEMBL9449238 0.69 ATP4A (0.40) L3MBTL1MEN1KMT2AATP4AATP4B
SCHEMBL9449235 0.69 ATP4A (0.40) L3MBTL1MEN1KMT2AATP4AATP4B
SCHEMBL6954929 0.68 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2STAT3HTTATP4A
SCHEMBL6954927 0.68 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2STAT3HTTATP4A

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed