SCHEMBL7972877

SCHEMBL7972877

NC(=O)N(O)[C@H]1C[C@@H](c2ccc(Br)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.47
BRD4 O60885 1/20 0.41
KDM1A O60341 6/20 0.39
MAOB P27338 3/20 0.39
KCNH2 Q12809 2/20 0.39
RCOR1 Q9UKL0 2/20 0.39
KDM1B Q8NB78 1/20 0.39
MAOA P21397 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7972876 1.00 ALOX5 (0.47) ALOX5BRD4KDM1AMAOBKCNH2
SCHEMBL7973297 1.00 ALOX5 (0.47) ALOX5BRD4KDM1AMAOBKCNH2
SCHEMBL7976148 0.83 ALOX5 (0.47) ALOX5HTR2CHTR2BMAPTKMT2A
SCHEMBL7972931 0.83 ALOX5 (0.47) ALOX5MAOBMAOAHTR2CHTR2B
SCHEMBL7973200 0.83 ALOX5 (0.47) ALOX5HTR2CHTR2BMAPTKMT2A
SCHEMBL7969766 0.83 ALOX5 (0.47) ALOX5MAOBMAOAHTR2CHTR2B
SCHEMBL7972814 0.83 ALOX5 (0.64) ALOX5KDM1AKCNH2HTR2CHTR2B
SCHEMBL7969764 0.83 ALOX5 (0.47) ALOX5MAOBMAOAHTR2CHTR2B
SCHEMBL7973196 0.83 ALOX5 (0.47) ALOX5HTR2CHTR2BMAPTKMT2A
SCHEMBL7959777 0.83 ALOX5 (0.64) ALOX5KDM1AKCNH2HTR2CHTR2B

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-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US disclosed
EP-0559743-B1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER (US) 1995-03-08 EP disclosed