SCHEMBL9446038

SCHEMBL9446038

COc1c(C)cnc(C[S+]([O-])c2nc3ccccc3n2[C](Cc2ccccc2)Cc2ccccc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 4/20 0.36
AGXT P21549 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
SHMT2 P34897 1/20 0.34
ASAH1 Q13510 2/20 0.33
TLR7 Q9NYK1 1/20 0.32
HTT P42858 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BRS3 P32247 2/20 0.32
KLKB1 P03952 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL13203871 0.86 KMT2A (0.41) WDR5KMT2AHSP90AA1AGXTPDE10A
SCHEMBL13011306 0.86 KMT2A (0.41) WDR5KMT2AHSP90AA1AGXTPDE10A
SCHEMBL13061874 0.85 L3MBTL1 (0.42) WDR5KMT2AHSP90AA1AGXTPDE10A
SCHEMBL13061873 0.85 L3MBTL1 (0.42) WDR5KMT2AHSP90AA1AGXTPDE10A
SCHEMBL5197626 0.83 KMT2A (0.41) WDR5KMT2AHSP90AA1AGXTPDE10A
SCHEMBL4958916 0.83 KMT2A (0.41) WDR5KMT2AHSP90AA1AGXTPDE10A
SCHEMBL9445964 0.83 L3MBTL1 (0.43) WDR5KMT2AHSP90AA1PDE10AATP4A
SCHEMBL9708898 0.82 WDR5 (0.42) WDR5KMT2AHSP90AA1AGXTPDE10A
Water SCHEMBL4555319 0.82 KMT2A (0.40) WDR5KMT2AHSP90AA1AGXTPDE10A
SCHEMBL9279388 0.82 KMT2A (0.40) WDR5KMT2AHSP90AA1AGXTPDE10A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5215974-A Antisecretory agents for gastrointestinal disorders; water solubility, chemical stability AKTIEBOLAGET HASSLE (SE) 1993-06-01 US disclosed
EP-0332647-A1 NEW BENZIMIDAZOLE DERIVATIVES A PROCESS FOR PRODUCTION THEREOF AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Aktiebolaget Hässle (SE) 1989-09-20 EP disclosed
WO-1988003921-A1 NEW BENZIMIDAZOLE DERIVATIVES A PROCESS FOR PRODUCTION THEREOF AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Aktiebolaget Hässle (SE) 1988-06-02 WO disclosed