SCHEMBL9445958

SCHEMBL9445958

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
WDR5 P61964 3/20 0.38
HSP90AA1 P07900 6/20 0.36
PDE10A Q9Y233 2/20 0.36
AGXT P21549 1/20 0.34
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
SHMT2 P34897 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 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
CYP2C9 P11712 2/20 0.31
KDM4E B2RXH2 1/20 0.31
DDAH1 O94760 1/20 0.31
ABCB11 O95342 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
SCHEMBL9445964 0.83 L3MBTL1 (0.43) KMT2AWDR5HSP90AA1PDE10AATP4A
SCHEMBL9708898 0.82 WDR5 (0.42) KMT2AWDR5HSP90AA1PDE10AAGXT
SCHEMBL9446042 0.81 KMT2A (0.38) KMT2AWDR5HSP90AA1PDE10AAGXT
SCHEMBL9446038 0.81 WDR5 (0.38) KMT2AWDR5HSP90AA1PDE10AAGXT
SCHEMBL4958916 0.81 KMT2A (0.41) KMT2AWDR5HSP90AA1PDE10AAGXT
SCHEMBL5197626 0.81 KMT2A (0.41) KMT2AWDR5HSP90AA1PDE10AAGXT
SCHEMBL9812452 0.81 KMT2A (0.41) KMT2AWDR5HSP90AA1PDE10AAGXT
SCHEMBL9446022 0.81 WDR5 (0.36) KMT2AWDR5HSP90AA1PDE10AATP4A
SCHEMBL13136704 0.81 PKM (0.42) KMT2AWDR5PDE10AAGXTATP4A
SCHEMBL9446025 0.80 KMT2A (0.40) KMT2AWDR5HSP90AA1PDE10AAGXT

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