SCHEMBL9675877

SCHEMBL9675877

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.41
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
PDE10A Q9Y233 1/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
CHUK O15111 1/20 0.35
PDPK1 O15530 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
CHEK2 O96017 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
PRKCG P05129 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 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 0.85 ATP4A (0.42) ATP4AATP4BBCHELMNACYP1A2
SCHEMBL10700565 0.85 CYP1A2 (0.37) LMNACYP1A2CYP2D6CYP2C19
SCHEMBL9675855 0.84 ATP4A (0.41) ATP4AATP4BAURKALMNA
SCHEMBL30637598 0.84 ATP4A (0.52) ATP4AATP4BBCHEACHELMNA
SCHEMBL3689535 0.84 ATP4A (0.52) ATP4AATP4BBCHEACHELMNA
SCHEMBL10699957 0.83 LMNA (0.37) PDE10ASCN10AKCNH2LMNACYP1A2
SCHEMBL10726467 0.83 ATP4A (0.51) ATP4AATP4BBCHEACHELMNA
SCHEMBL9395810 0.83 ATP4A (0.43) ATP4AATP4BLMNA
SCHEMBL9675801 0.77 ATP4A (0.37) ATP4AATP4BPDE10AKIF11KCNH2
SCHEMBL9678448 0.76 RAB9A (0.51) PDE10ABCHELMNACYP1A2CYP2D6

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 4 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-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