SCHEMBL8074080

SCHEMBL8074080

COc1c(C)cnc(CS(=O)(=O)c2nc3cc(-n4ccnc4)c(F)cc3[nH]2)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.59
ATP4A P20648 5/20 0.37
ATP4B P51164 5/20 0.37
WDR5 P61964 3/20 0.37
KMT2A Q03164 3/20 0.37
ATP1A1 P05023 3/20 0.37
ATP1B1 P05026 3/20 0.37
ATP1A3 P13637 3/20 0.37
ATP1B2 P14415 3/20 0.37
ATP1A2 P50993 3/20 0.37
ATP1B3 P54709 3/20 0.37
FXYD2 P54710 3/20 0.37
ATP1A4 Q13733 3/20 0.37
BRS3 P32247 2/20 0.37
DDAH1 O94760 2/20 0.37
ENGASE Q8NFI3 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ABCB11 O95342 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 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
SCHEMBL8074070 0.81 BRS3 (0.58) CYP2C9ATP4AATP4BWDR5KMT2A
SCHEMBL8059870 0.80 BRS3 (0.36) CYP2C9ATP4AATP4BWDR5KMT2A
SCHEMBL23988419 0.76 CYP2C9 (0.65) CYP2C9ATP4AATP4BWDR5KMT2A
Omeprazole Sulfone SCHEMBL4950986 0.74 CYP2C9 (1.00) CYP2C9ATP4AATP4BWDR5KMT2A
Omeprazole Sulfone SCHEMBL2340649 0.74 CYP2C9 (0.85) CYP2C9ATP4AATP4BWDR5KMT2A
Omeprazole Sulfone SCHEMBL29415504 0.74 CYP2C9 (0.85) CYP2C9ATP4AATP4BWDR5KMT2A
Omeprazole Sulfone SCHEMBL33721996 0.74 CYP2C9 (0.85) CYP2C9ATP4AATP4BWDR5KMT2A
Omeprazole Sulfone SCHEMBL28015857 0.74 CYP2C9 (0.83) CYP2C9ATP4AATP4BWDR5KMT2A
SCHEMBL23988476 0.73 CYP2C9 (0.76) CYP2C9ATP4AATP4BWDR5KMT2A
SCHEMBL23988472 0.72 CYP2C9 (0.70) CYP2C9ATP4AATP4BWDR5KMT2A

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