SCHEMBL8557217

SCHEMBL8557217

O=C(O)C=NOC(c1ccc(OCc2nc(-c3ccccn3)cs2)cc1)c1ccc(OCc2nc(-c3ccccn3)cs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.60
MAPT P10636 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL8556881 0.90 ALOX5 (0.72) ALOX5
SCHEMBL8559830 0.85 ALOX5 (0.56) ALOX5
SCHEMBL8554718 0.81 ALOX5 (0.69) ALOX5
SCHEMBL8626723 0.80 ALOX5 (0.72) ALOX5MAPT
SCHEMBL8622657 0.79 ALOX5 (0.71) ALOX5MAPT
SCHEMBL8557228 0.79 ALOX5 (0.46) ALOX5MAPTADORA3
SCHEMBL8649482 0.78 MAPT (0.47) ALOX5MAPTADORA3
SCHEMBL8555945 0.76 ALOX5 (0.53) ALOX5
SCHEMBL8557151 0.76 ALOX5 (0.50) ALOX5
SCHEMBL8555241 0.73 ALOX5 (0.72) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed