SCHEMBL7560437

SCHEMBL7560437

CC(C)(C)OC(=O)OC(=O)CNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 6/20 0.47
HTT P42858 3/20 0.47
POLB P06746 3/20 0.47
DDX3X O00571 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALOX12 P18054 2/20 0.46
HPGD P15428 1/20 0.46
ALOX5 P09917 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7529513 0.83 MEN1 (0.52) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL3288477 0.82 MEN1 (0.65) SMN1; SMN2MEN1KMT2AMAPTHTT
Hydrochloric Acid SCHEMBL8172216 0.81 MEN1 (0.64) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL28467635 0.80 MEN1 (0.51) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL641425 0.79 MEN1 (0.59) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL18030731 0.77 MAPT (0.52) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL31135773 0.76 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL3222110 0.76 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL31654213 0.75 MAPT (0.52) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL6192945 0.75 MAPT (0.61) SMN1; SMN2MEN1KMT2AMAPTHTT

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
WO-2002024192-A1 DIPEPTIDE LIGANDS OF THE NPFF RECEPTOR FOR TREATING PAIN AND HYPERALGESIA INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2002-03-28 WO disclosed