SCHEMBL3034546

SCHEMBL3034546

CC(C)CC(N)C(=O)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.44
MAPT P10636 6/20 0.42
GAA P10253 3/20 0.42
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HCAR3 P49019 2/20 0.39
GFER P55789 1/20 0.38

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
SCHEMBL3034549 1.00 CLPP (0.44) CLPPMAPTGAAMAPK1LMNA
SCHEMBL781369 0.79 CLPP (0.53) CLPPMAPTGAAMAPK1KMT2A
SCHEMBL781368 0.79 CLPP (0.53) CLPPMAPTGAAMAPK1KMT2A
SCHEMBL9755625 0.78 GAA (0.46) MAPTGAALMNAMEN1KMT2A
SCHEMBL11602108 0.77 MAPT (0.52) MAPTGAALMNAMEN1KMT2A
SCHEMBL13753323 0.73 MAPT (0.49) MAPTGAALMNAALDH1A1CYP2D6
SCHEMBL985997 0.73 LARS1 (0.58) MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL8669233 0.72 LARS1 (0.57) MEN1KMT2ARAB9A
SCHEMBL7298409 0.71 LARS1 (0.56) MAPTALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL17822181 0.71 LARS1 (0.56) MAPTALDH1A1HPGDSMN1; SMN2TDP1

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
WO-2010068794-A2 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2010-06-17 WO claimed
WO-2010068794-A2 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2010-06-17 WO disclosed