SCHEMBL9675855

SCHEMBL9675855

CN(C)c1ccc(Cl)cc1C[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.41
ATP4B P51164 3/20 0.41
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
KMT2A Q03164 5/20 0.37
KDM4E B2RXH2 5/20 0.37
MEN1 O00255 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 2/20 0.37
PKM P14618 2/20 0.37
HPGD P15428 2/20 0.37
ALPL P05186 1/20 0.37
ALPG P10696 1/20 0.37
HTT P42858 1/20 0.37
AURKA O14965 1/20 0.37
GFER P55789 1/20 0.35

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
SCHEMBL9398067 0.87 ATP4A (0.42) ATP4AATP4BNPC1RAB9AKMT2A
SCHEMBL9395890 0.86 ATP4A (0.39) ATP4AATP4BNPC1RAB9AKMT2A
SCHEMBL9395895 0.86 ALDH1A1 (0.41) ATP4AATP4BRAB9AKMT2AKDM4E
SCHEMBL30637598 0.86 ATP4A (0.52) ATP4AATP4BNPC1RAB9AKMT2A
SCHEMBL3689535 0.86 ATP4A (0.52) ATP4AATP4BNPC1RAB9AKMT2A
SCHEMBL10726467 0.84 ATP4A (0.51) ATP4AATP4BNPC1RAB9AKMT2A
SCHEMBL9395810 0.84 ATP4A (0.43) ATP4AATP4BNPC1RAB9AKMT2A
SCHEMBL9675877 0.84 HDAC6 (0.41) ATP4AATP4BLMNAAURKA
SCHEMBL10711775 0.83 RAB9A (0.38) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL6475069 0.82 ATP4A (0.46) ATP4AATP4BNPC1RAB9AKMT2A

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
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 EP claimed
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 EP disclosed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 EP disclosed