SCHEMBL9709017

SCHEMBL9709017

COc1c(C)cnc(C[S+]([O-])c2nc3ccccc3n2COC(C)=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
WDR5 P61964 1/20 0.39
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
PDE10A Q9Y233 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 4/20 0.35
HTT P42858 4/20 0.35
HSP90AA1 P07900 1/20 0.35
CTSD P07339 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
HIF1A Q16665 1/20 0.34
AGXT P21549 1/20 0.34
MAPK1 P28482 1/20 0.34
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
SHMT2 P34897 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL10720384 0.99 KMT2A (0.38) KMT2AWDR5ALDH1A1KDM4EPDE10A
SCHEMBL9279388 0.87 KMT2A (0.40) KMT2AWDR5ALDH1A1PDE10AHPGD
SCHEMBL13136704 0.86 PKM (0.42) KMT2AWDR5ALDH1A1KDM4EPDE10A
SCHEMBL13011306 0.85 KMT2A (0.41) KMT2AWDR5ALDH1A1KDM4EPDE10A
SCHEMBL13203871 0.85 KMT2A (0.41) KMT2AWDR5ALDH1A1KDM4EPDE10A
SCHEMBL9446025 0.85 KMT2A (0.40) KMT2AWDR5ALDH1A1KDM4EPDE10A
SCHEMBL13061874 0.82 L3MBTL1 (0.42) KMT2AWDR5ALDH1A1PDE10AHPGD
SCHEMBL13061873 0.82 L3MBTL1 (0.42) KMT2AWDR5ALDH1A1PDE10AHPGD
SCHEMBL9445964 0.82 L3MBTL1 (0.43) KMT2AWDR5ALDH1A1KDM4EPDE10A
SCHEMBL9708898 0.81 WDR5 (0.42) KMT2AWDR5PDE10AHSP90AA1MAPT

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-0233284-B1 PHARMACOLOGICAL COMPOUNDS Aktiebolaget Hässle (SE) 1992-08-19 EP disclosed