SCHEMBL9445964

SCHEMBL9445964

COc1c(C)cnc(C[S+]([O-])c2nc3ccccc3n2CCc2ccccc2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 3/20 0.39
KDM4E B2RXH2 1/20 0.39
WDR5 P61964 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
TSHR P16473 3/20 0.38
CYP2C19 P33261 3/20 0.38
USP2 O75604 2/20 0.38
PKM P14618 1/20 0.38
HSP90AA1 P07900 1/20 0.37
PDE10A Q9Y233 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL13136704 0.88 PKM (0.42) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL9279388 0.87 KMT2A (0.40) LMNAMAPTKMT2AMEN1WDR5
SCHEMBL9446025 0.87 KMT2A (0.40) L3MBTL1LMNAMAPTKMT2AMEN1
SCHEMBL9708898 0.86 WDR5 (0.42) MAPTKMT2AWDR5TSHRHSP90AA1
SCHEMBL9445958 0.83 KMT2A (0.38) MAPTKMT2AMEN1KDM4EWDR5
SCHEMBL9446038 0.83 WDR5 (0.38) LMNAMAPTKMT2AKDM4EWDR5
SCHEMBL9446042 0.83 KMT2A (0.38) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL4958916 0.83 KMT2A (0.41) MAPTKMT2AMEN1KDM4EWDR5
SCHEMBL9812452 0.83 KMT2A (0.41) MAPTKMT2AMEN1KDM4EWDR5
SCHEMBL5197626 0.83 KMT2A (0.41) MAPTKMT2AMEN1KDM4EWDR5

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 5 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-0279149-B1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Aktiebolaget Hässle (SE) 1992-12-30 EP 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
EP-0279149-A2 Benzimidazole derivatives, process for their production and a pharmaceutical composition containing the same Aktiebolaget Hässle (SE) 1988-08-24 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