SCHEMBL28705015

SCHEMBL28705015

CCOC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 1/20 0.43
GCK P35557 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK14 Q16539 2/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KDR P35968 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 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
SCHEMBL13331035 0.88 SMN1; SMN2 (0.46) SMN1; SMN2POLBRAB9ANPC1ALDH1A1
SCHEMBL2562936 0.88 MAPK14 (0.49) SMN1; SMN2POLBRAB9ANPC1ALDH1A1
SCHEMBL29662429 0.88 MAPK14 (0.49) SMN1; SMN2POLBRAB9ANPC1ALDH1A1
SCHEMBL2558876 0.85 ALDH1A1 (0.42) SMN1; SMN2POLBRAB9ANPC1ALDH1A1
SCHEMBL2555515 0.85 GCK (0.60) SMN1; SMN2POLBRAB9ANPC1ALDH1A1
SCHEMBL2561277 0.84 SMN1; SMN2 (0.53) SMN1; SMN2POLBRAB9ANPC1ALDH1A1
SCHEMBL2555509 0.84 GCK (0.45) SMN1; SMN2POLBRAB9ANPC1ALDH1A1
SCHEMBL28708295 0.84 GCK (0.45) POLBRAB9ANPC1ALDH1A1HPGD
SCHEMBL2557702 0.80 GCK (0.44) SMN1; SMN2ALDH1A1GCKMAPK12MAPK14
SCHEMBL1988921 0.80 MET (0.48) SMN1; SMN2POLBRAB9ANPC1ALDH1A1

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-3999057-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES SAS (FR) 2022-05-25 EP disclosed
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed