SCHEMBL8782862

SCHEMBL8782862

CC(Oc1ccccc1C(=O)NCCN(O)C(N)=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.45
ALOX5 P09917 1/20 0.44
HCRTR1 O43613 2/20 0.43
BRD4 O60885 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PARP1 P09874 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL8942302 0.84 ALOX5 (0.41) KCNA3ALOX5BRD4MEN1KMT2A
SCHEMBL8782774 0.82 ALOX5 (0.55) ALOX5BRD4KMT2AALDH1A1
SCHEMBL8783047 0.80 ALOX5 (0.50) ALOX5BRD4MEN1KMT2AALDH1A1
SCHEMBL8782305 0.80 KDM4E (0.55) HCRTR1KDM4EMEN1KMT2AALDH1A1
SCHEMBL8783572 0.78 ALOX5 (0.42) ALOX5BRD4KDM4EALDH1A1TP53
SCHEMBL9370942 0.76 MEN1 (0.51) HCRTR1MEN1KMT2AHIF1AALDH1A1
SCHEMBL8782496 0.74 KDM4E (0.46) ALOX5HCRTR1KDM4EALDH1A1HPGD
SCHEMBL28325904 0.74 IRAK4 (0.70) ALOX5KDM4EMEN1KMT2AALDH1A1
SCHEMBL28306143 0.74 IRAK4 (0.70) ALOX5KDM4EMEN1KMT2AALDH1A1
SCHEMBL8783366 0.74 KDM4E (0.46) HCRTR1KDM4EMEN1KMT2AALDH1A1

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-0595995-B1 ARYLAMIDOALKYL- AND ARYLAMINOALKYL-N-HYDROXYUREA COMPOUNDS AND -N-HYDROXYFORMAMIDE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1997-01-15 EP disclosed
US-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed
EP-0595995-A4 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1994-08-24 EP disclosed
EP-0595995-A1 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1994-05-11 EP disclosed
US-5214204-A Inhibitors of biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1993-05-25 US disclosed
WO-1993002037-A1 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1993-02-04 WO disclosed