SCHEMBL9846310

SCHEMBL9846310

Cc1nc(OCc2ccccc2)c(C=O)cc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 1/20 0.43
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAP3K7 O43318 2/20 0.39
TAB1 Q15750 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
PARP1 P09874 1/20 0.39
STAT3 P40763 1/20 0.39

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
SCHEMBL9846135 0.85 L3MBTL1 (0.44) MEN1HSP90AA1KMT2AL3MBTL1MCL1
SCHEMBL15088137 0.80 L3MBTL1 (0.46) MEN1HSP90AA1KMT2AL3MBTL1MCL1
SCHEMBL9338308 0.80 L3MBTL1 (0.48) MEN1HSP90AA1KMT2AL3MBTL1ALDH1A1
SCHEMBL9846091 0.80 ALDH1A1 (0.53) CNR1ALDH1A1GAAKDM4EHTT
SCHEMBL9846147 0.79 MEN1 (0.41) MEN1HSP90AA1KMT2AL3MBTL1CNR1
SCHEMBL9846142 0.79 MEN1 (0.41) MEN1HSP90AA1KMT2AL3MBTL1CNR1
SCHEMBL9586039 0.78 ALDH1A1 (0.48) MEN1HSP90AA1KMT2AL3MBTL1MCL1
SCHEMBL15088136 0.78 L3MBTL1 (0.46) MEN1HSP90AA1KMT2AL3MBTL1CNR1
SCHEMBL9846247 0.76 L3MBTL1 (0.44) MEN1HSP90AA1KMT2AL3MBTL1ALDH1A1
SCHEMBL16616758 0.75 MCL1 (0.55) MEN1HSP90AA1KMT2AL3MBTL1MCL1

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