SCHEMBL8545926

SCHEMBL8545926

NC(=O)N(O)CCOc1ccc2c(c1)CN(CCCc1ccccc1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
ALOX5 P09917 1/20 0.45
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
ITGB3 P05106 10/20 0.44
ITGA2B P08514 10/20 0.44
S1PR1 P21453 2/20 0.44
F10 P00742 1/20 0.42

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
SCHEMBL8543655 0.91 ITGB3 (0.54) MAOAMAOBITGB3ITGA2B
SCHEMBL8544276 0.89 MAOA (0.51) ALOX5MAOAMAOBITGB3ITGA2B
SCHEMBL8550037 0.88 ITGB3 (0.53) MAOAMAOBITGB3ITGA2B
SCHEMBL8547044 0.87 ITGB3 (0.53) MAOAMAOBITGB3ITGA2B
SCHEMBL8548776 0.85 ITGB3 (0.53) ALOX5MAOAMAOBITGB3ITGA2B
SCHEMBL8550145 0.82 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL8545868 0.82 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL8542223 0.82 ITGB3 (0.54) ITGB3ITGA2BS1PR1
SCHEMBL9425224 0.82 ITGB3 (0.51) ALOX5ITGB3ITGA2B
SCHEMBL8545572 0.82 ITGB3 (0.51) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526402-B1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA GEIGY AG (CH) 1998-01-21 EP disclosed
US-5350761-A Lipoxygenase inhibitors as antiinflammatory agents and antiallergens CIBA-GEIGY CORPORATION (US) 1994-09-27 US disclosed
US-5334600-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1994-08-02 US disclosed
US-5260316-A Lipoxygenase inhibitor CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
EP-0526402-A1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA-GEIGY AG (CH) 1993-02-03 EP disclosed