SCHEMBL8782827

SCHEMBL8782827

C=C(C)COc1cccc(C(=O)NCCN(O)C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.46
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
ALOX5 P09917 1/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HDAC3 O15379 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL8942260 0.84 FURIN (0.39) F10ALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL8783271 0.83 SIGMAR1 (0.57) ALDH1A1KMT2AHTTSMN1; SMN2SIGMAR1
SCHEMBL8782783 0.83 GAA (0.57) F10KMT2ASMN1; SMN2MEN1GAA
SCHEMBL8783388 0.81 ALOX5 (0.48) F10ALDH1A1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL8783708 0.81 SMPD1 (0.60) F10KMT2AMEN1
SCHEMBL8783294 0.80 MEN1 (0.57) F10ALDH1A1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL24002294 0.79 SMN1; SMN2 (0.52) F10ALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL8782791 0.79 GAA (0.51) ALDH1A1KMT2AHTTSMN1; SMN2SIGMAR1
SCHEMBL8783047 0.77 ALOX5 (0.50) F10ALDH1A1KMT2ASIGMAR1ALOX5
SCHEMBL203154 0.76 PARP1 (0.58) KMT2A

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 3 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
US-5214204-A Inhibitors of biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1993-05-25 US disclosed