SCHEMBL8094768

SCHEMBL8094768

Cc1c(SCCCSc2ccc3ncc([N+](=O)[O-])n3n2)ccnc1CSc1nccn1-c1ccccn1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
GAA P10253 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
Hydrochloric Acid SCHEMBL8502062 0.88
SCHEMBL8089394 0.85 CYP1A2 (0.32) POLBGAA
Hydrochloric Acid SCHEMBL8088311 0.81 CYP1A2 (0.31)
Hydrochloric Acid SCHEMBL8089321 0.80 ALDH1A1 (0.41) POLBGAA
SCHEMBL8082681 0.80 CYP1A2 (0.34)
SCHEMBL8081086 0.80 CYP1A2 (0.36)
SCHEMBL8089469 0.80 ALDH1A1 (0.39) GAA
SCHEMBL8081179 0.80 MAPT (0.37) GAA
SCHEMBL8081188 0.79 CYP1A2 (0.33)
Hydrochloric Acid SCHEMBL8092772 0.78 NPC1 (0.42)

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-6043242-A TREATING A MAMMAL AFFLICTED WITH A DISEASE BASED ON HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-28 US disclosed
EP-0946559-A2 IMIDAZOPYRIDAZINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-10-06 EP disclosed
WO-1998028299-A2 IMIDAZOPYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-07-02 WO disclosed