SCHEMBL5511930

SCHEMBL5511930

Cc1nc2c3c(c(C(=S)NC4CC4)cc2n1C)CCC(c1ccccc1)O3

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
RAB9A P51151 1/20 0.32
SLC8A1 P32418 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL5511615 0.91 ATP4A (0.33) ATP4AATP4BRAB9A
SCHEMBL4663231 0.90 LIPG (0.39) RAB9ASLC8A1LIPG
SCHEMBL5506546 0.89 ATP4A (0.35) ATP4AATP4BRAB9A
SCHEMBL5507104 0.86 ATP4A (0.33) ATP4AATP4BRAB9A
SCHEMBL5511902 0.86 ATP4A (0.33) ATP4AATP4BRAB9A
SCHEMBL4663178 0.85 DHODH (0.36) ATP4AATP4BRAB9ASLC8A1
SCHEMBL6019450 0.85 DHODH (0.36) ATP4AATP4BRAB9ASLC8A1
SCHEMBL6020045 0.85 DHODH (0.36) ATP4AATP4BRAB9ASLC8A1
SCHEMBL5508133 0.85 RAB9A (0.35) ATP4AATP4BRAB9ASLC8A1
SCHEMBL5508128 0.85 RAB9A (0.35) ATP4AATP4BRAB9ASLC8A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863820-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES Nycomed GmbH (DE) 2007-12-12 EP disclosed
WO-2006100255-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES NYCOMED GMBH (DE) 2006-09-28 WO disclosed