SCHEMBL7675367

SCHEMBL7675367

Cc1c(SCCCCBr)ccnc1Cc1nc2ccccc2cc1N

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.42
PTGS2 P35354 2/20 0.32
PIK3CD O00329 2/20 0.30

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
SCHEMBL7676543 0.91 TLR8 (0.43) TLR8PIK3CD
SCHEMBL7670968 0.89 TLR8 (0.44) TLR8PIK3CD
Hydrochloric Acid SCHEMBL7675349 0.88 TLR8 (0.43) TLR8
SCHEMBL7679455 0.86 TLR8 (0.39) TLR8PIK3CD
SCHEMBL7889170 0.84 TLR8 (0.38) TLR8
SCHEMBL7675578 0.82 TLR8 (0.38) TLR8
SCHEMBL7672108 0.81 DRD3 (0.41) TLR8
SCHEMBL7669705 0.81 CYP1A2 (0.36) TLR8
SCHEMBL7675359 0.76 MEN1 (0.43)
SCHEMBL7670929 0.75 TYMS (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479514-B1 FOR THE CONTROL OF HELICOBACTER BACTERIA IN INFECTED PATIENTS ALTANA PHARMA AG (DE) 2002-11-12 US disclosed
EP-1086094-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-03-28 EP disclosed
WO-1999061438-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed