SCHEMBL8074093

SCHEMBL8074093

COc1ccnc(C[S+]([O-])c2nc3cc(N4CCC(=O)CC4)c(F)cc3[nH]2)c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 9/20 0.44
ATP4B P51164 9/20 0.44
ATP1A1 P05023 6/20 0.44
ATP1B1 P05026 6/20 0.44
ATP1A3 P13637 6/20 0.44
ATP1B2 P14415 6/20 0.44
ATP1A2 P50993 6/20 0.44
ATP1B3 P54709 6/20 0.44
FXYD2 P54710 6/20 0.44
ATP1A4 Q13733 6/20 0.44
OPRL1 P41146 8/20 0.35
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR3 P22607 2/20 0.33
KDR P35968 2/20 0.33
WDR5 P61964 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8073957 0.92 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL8061865 0.91 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL8059927 0.91 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL8071076 0.90 ATP4A (0.39) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL8071077 0.88 ATP4A (0.40) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL8075391 0.85 CCNT1 (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL8977409 0.85 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10335419 0.84 ATP4A (0.48) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL8977408 0.84 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL8977272 0.83 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US claimed
EP-0983263-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-08 EP claimed
WO-1998054172-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-12-03 WO claimed
US-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US disclosed
EP-0983263-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-08 EP disclosed
WO-1998054172-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-12-03 WO disclosed