SCHEMBL9338293

SCHEMBL9338293

CCc1cc(/C=C/c2nc3ccccc3o2)c(OCc2ccccc2)nc1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ATP4A P20648 13/20 0.40
ATP4B P51164 13/20 0.40
UTRN P46939 2/20 0.40
STAT3 P40763 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9336639 1.00 L3MBTL1 (0.43) L3MBTL1ATP4AATP4BUTRNSTAT3
SCHEMBL9449235 0.87 ATP4A (0.40) L3MBTL1ATP4AATP4BUTRNMEN1
SCHEMBL9449238 0.87 ATP4A (0.40) L3MBTL1ATP4AATP4BUTRNMEN1
SCHEMBL6954929 0.86 L3MBTL1 (0.41) L3MBTL1ATP4AATP4BUTRNSTAT3
SCHEMBL6954927 0.86 L3MBTL1 (0.41) L3MBTL1ATP4AATP4BUTRNSTAT3
SCHEMBL9846410 0.85 L3MBTL1 (0.39) L3MBTL1STAT3HTTSMN1; SMN2MEN1
SCHEMBL9846413 0.85 L3MBTL1 (0.39) L3MBTL1STAT3HTTSMN1; SMN2MEN1
SCHEMBL9336647 0.85 ATP4A (0.41) ATP4AATP4BUTRNMEN1NPC1
SCHEMBL9846142 0.84 MEN1 (0.41) L3MBTL1ATP4AATP4BUTRNSMN1; SMN2
SCHEMBL9846147 0.84 MEN1 (0.41) L3MBTL1ATP4AATP4BUTRNSMN1; SMN2

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
US-5290941-A Synthesizing styrylbenzoxazoles; low temperature treatment with potassium tert-butoxide; reverse transcriptase inhibitor MERCK & CO., INC. (US) 1994-03-01 US disclosed