SCHEMBL9846231

SCHEMBL9846231

Cc1nc(OCc2ccccc2)c(/C=C/c2nc3ccccc3o2)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ATP4A P20648 12/20 0.39
ATP4B P51164 12/20 0.39
STAT3 P40763 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SQOR Q9Y6N5 1/20 0.36
CNR1 P21554 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9846237 1.00 L3MBTL1 (0.41) L3MBTL1ATP4AATP4BSTAT3HTT
SCHEMBL9338293 0.84 L3MBTL1 (0.43) L3MBTL1ATP4AATP4BSTAT3HTT
SCHEMBL9336639 0.84 L3MBTL1 (0.43) L3MBTL1ATP4AATP4BSTAT3HTT
SCHEMBL9846253 0.82 L3MBTL1 (0.40) L3MBTL1ATP4AATP4BSTAT3HTT
SCHEMBL9585229 0.82 L3MBTL1 (0.40) L3MBTL1ATP4AATP4BSTAT3HTT
SCHEMBL9585232 0.82 L3MBTL1 (0.40) L3MBTL1ATP4AATP4BSTAT3HTT
SCHEMBL9846138 0.82 L3MBTL1 (0.40) L3MBTL1ATP4AATP4BSTAT3HTT
SCHEMBL9846252 0.82 L3MBTL1 (0.40) L3MBTL1ATP4AATP4BSTAT3HTT
SCHEMBL9846140 0.82 L3MBTL1 (0.40) L3MBTL1ATP4AATP4BSTAT3HTT
SCHEMBL9846147 0.81 MEN1 (0.41) L3MBTL1ATP4AATP4BSMN1; SMN2CNR1

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