SCHEMBL8074046

SCHEMBL8074046

COc1ccnc(C[S+]([O-])c2nc3cc(N4CCCCCC4)ccc3[nH]2)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 6/20 0.35
ATP1B1 P05026 6/20 0.35
ATP1A3 P13637 6/20 0.35
ATP1B2 P14415 6/20 0.35
ATP4A P20648 6/20 0.35
ATP1A2 P50993 6/20 0.35
ATP4B P51164 6/20 0.35
ATP1B3 P54709 6/20 0.35
FXYD2 P54710 6/20 0.35
ATP1A4 Q13733 6/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8469710 0.86 ATP4A (0.37) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
Ilaprazole SCHEMBL22734706 0.85 ATP1A1 (0.36) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
Ilaprazole SCHEMBL29364741 0.85 ATP1A1 (0.36) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
Ilaprazole SCHEMBL22734704 0.85 ATP1A1 (0.36) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
Ilaprazole SCHEMBL1179039 0.85 ATP1A1 (0.36) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
Ilaprazole SCHEMBL23988478 0.85 ATP1A1 (0.36) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL14467743 0.85 ATP4A (0.37) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL8061865 0.85 ATP4A (0.42) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL8059927 0.85 ATP4A (0.42) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL8070833 0.85 ALK (0.40) ALDH1A1MAPTLMNAPDE3BPDE3A

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
US-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US 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