SCHEMBL11051178

SCHEMBL11051178

NCC(=O)NCC(=O)N(CC(=O)O)Sc1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE7A Q13946 1/20 0.36

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
SCHEMBL8886828 0.72 MMP2 (0.36) MMP2MAPTKMT2AGAASMN1; SMN2
SCHEMBL11051183 0.72 MAPT (0.46) MMP1MMP2MMP9MMP8MMP13
SCHEMBL10864271 0.71 ALDH1A1 (0.50) MMP1MMP2MMP9MMP8MMP13
SCHEMBL10373336 0.71 ALDH1A1 (0.50) MMP1MMP2MMP9MMP8MMP13
SCHEMBL27630263 0.71 GPR35 (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL11797633 0.70 ALDH1A1 (0.49) MMP1MMP2MMP9MMP8MMP13
SCHEMBL9543128 0.68 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL11051174 0.68 MAPT (0.50) MMP1MMP2MMP9MMP8MMP13
SCHEMBL3427046 0.66 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2905084 0.66 MAPT (0.57) MMP1MMP2MMP9MMP8MMP13

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-4483794-A UROGENITAL MUSCLE RELAXANT CESKOSLOVENSKA AKADEMIE VED (CS) 1984-11-20 US disclosed