SCHEMBL9676705

SCHEMBL9676705

Cc1cc(N(C)C)c(C[S+]([O-])c2nc3ccccc3[nH]2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CFB P00751 1/20 0.35
BCHE P06276 2/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
DDAH1 O94760 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 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
SCHEMBL9677072 0.88 ATP4A (0.46) ATP4AATP4BALDH1A1NPC1RAB9A
SCHEMBL9395841 0.84 ATP4A (0.40) ATP4AATP4BALDH1A1NPC1RAB9A
SCHEMBL6475152 0.84 ATP4A (0.56) ATP4AATP4BALDH1A1NPC1RAB9A
Water SCHEMBL6483945 0.83 ATP4A (0.55) ATP4AATP4BALDH1A1NPC1RAB9A
Water SCHEMBL6483950 0.83 ATP4A (0.55) ATP4AATP4BALDH1A1NPC1RAB9A
SCHEMBL3689535 0.78 ATP4A (0.52) ATP4AATP4BALDH1A1NPC1RAB9A
SCHEMBL30637598 0.78 ATP4A (0.52) ATP4AATP4BALDH1A1NPC1RAB9A
SCHEMBL9398067 0.78 ATP4A (0.42) ATP4AATP4BALDH1A1NPC1RAB9A
SCHEMBL10726467 0.77 ATP4A (0.51) ATP4AATP4BALDH1A1NPC1RAB9A
SCHEMBL9675855 0.75 ATP4A (0.41) ATP4AATP4BALDH1A1NPC1RAB9A

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-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 EP claimed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 EP disclosed