SCHEMBL8783271

SCHEMBL8783271

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 3/20 0.54
MMP13 P45452 1/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PARP1 P09874 1/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL8782791 0.92 GAA (0.51) SIGMAR1ALDH1A1GAAMAPTKMT2A
SCHEMBL8783388 0.88 ALOX5 (0.48) SIGMAR1ALDH1A1GAAMAPTKMT2A
SCHEMBL8783294 0.86 MEN1 (0.57) SIGMAR1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8782783 0.84 GAA (0.57) GAAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8783847 0.84 NPC1 (0.61) SIGMAR1ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL28037490 0.84 SIGMAR1 (0.65) SIGMAR1ALDH1A1GAAMAPTKMT2A
SCHEMBL8782827 0.83 F10 (0.46) SIGMAR1ALDH1A1GAAMAPTKMT2A
SCHEMBL8783047 0.83 ALOX5 (0.50) SIGMAR1ALDH1A1KMT2AMEN1
SCHEMBL8782586 0.82 SNCA (0.49) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8783708 0.82 SMPD1 (0.60) KMT2AMEN1NPC1RAB9ACYP2C9

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
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