SCHEMBL7873394

SCHEMBL7873394

NC(=O)NCCC[CH]C(=O)Nc1ncccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 6/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
AHR P35869 1/20 0.45
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KCNH2 Q12809 1/20 0.40
PARP1 P09874 1/20 0.37
GAA P10253 1/20 0.36
MAP4K2 Q12851 1/20 0.36
DHODH Q02127 1/20 0.35
RPS6KB1 P23443 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL7873416 0.80 ANPEP (0.49) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL7868172 0.80 HPGD (0.42) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL7873448 0.79 MAPT (0.48) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL7879245 0.78 RIOK2 (0.42) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21072239 0.72 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL31483834 0.72 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL28269908 0.68 MAPT (0.37) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL7876978 0.68 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL662027 0.67 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL12986575 0.67 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EHSD17B10MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed