SCHEMBL9380906

SCHEMBL9380906

CC(C1CC1c1ccc(Br)cc1)N(O)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.64
KDM1A O60341 6/20 0.41
MAOB P27338 3/20 0.41
KCNH2 Q12809 2/20 0.41
RCOR1 Q9UKL0 2/20 0.41
KDM1B Q8NB78 1/20 0.41
MAOA P21397 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL9380421 1.00 ALOX5 (0.64) ALOX5KDM1AMAOBKCNH2RCOR1
SCHEMBL9384879 0.87 ALOX5 (0.48) ALOX5KDM1AMAOBKCNH2RCOR1
SCHEMBL9380154 0.87 ALOX5 (0.65) ALOX5HTR2CHTR2BSLC6A2SLC6A4
SCHEMBL9380156 0.87 ALOX5 (0.65) ALOX5HTR2CHTR2BSLC6A2SLC6A4
SCHEMBL9384882 0.87 ALOX5 (0.48) ALOX5KDM1AMAOBKCNH2RCOR1
SCHEMBL9381959 0.85 ALOX5 (0.73) ALOX5KDM1A
SCHEMBL9383867 0.85 ALOX5 (0.73) ALOX5KDM1A
SCHEMBL7959760 0.85 ALOX5 (0.73) ALOX5KDM1A
SCHEMBL7959761 0.85 ALOX5 (0.73) ALOX5KDM1A
SCHEMBL9384460 0.83 ALOX5 (0.61) ALOX5KDM1AMAOBMAOAHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP claimed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP claimed
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP disclosed
US-5120752-A N-(1-(20(3-pyridyloxy)phenyl)cyclopropyl) alkyl-N-hydroxyurea compounds, antiinflammatory agents ABBOTT LABORATORIES (US) 1992-06-09 US disclosed
US-5037853-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1991-08-06 US disclosed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP disclosed