SCHEMBL8554718

SCHEMBL8554718

O=C(O)C=NOC(c1ccc(OCc2ccccn2)cc1)c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.69
PARP10 Q53GL7 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAOB P27338 1/20 0.46

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
SCHEMBL8559830 0.88 ALOX5 (0.56) ALOX5
SCHEMBL8559081 0.84 ALOX5 (0.52) ALOX5
SCHEMBL8555945 0.83 ALOX5 (0.53) ALOX5
SCHEMBL8555241 0.82 ALOX5 (0.72) ALOX5
SCHEMBL8555093 0.81 ALOX5 (0.71) ALOX5
SCHEMBL8557217 0.81 ALOX5 (0.60) ALOX5
SCHEMBL8890119 0.81 ALOX5 (0.57) ALOX5PARP10KDM4EALDH1A1SMN1; SMN2
SCHEMBL8557151 0.78 ALOX5 (0.50) ALOX5
SCHEMBL8556881 0.76 ALOX5 (0.72) ALOX5
SCHEMBL8559593 0.76 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 2 patents. 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 claimed
US-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed