SCHEMBL23698307

SCHEMBL23698307

O=C(NN=Cc1ccc([N+](=O)[O-])c(O)c1)c1ccco1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.67
RAB9A P51151 9/20 0.58
NPC1 O15118 8/20 0.58
KDM4E B2RXH2 4/20 0.57
PKM P14618 3/20 0.57
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
GFER P55789 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 1/20 0.50
USP2 O75604 1/20 0.49

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
SCHEMBL21887104 1.00 MAPT (0.67) MAPTRAB9ANPC1KDM4EPKM
SCHEMBL23698296 0.85 MAPT (0.67) MAPTRAB9ANPC1KDM4EPKM
SCHEMBL23698297 0.85 MAPT (0.67) MAPTRAB9ANPC1KDM4EPKM
SCHEMBL8291982 0.81 MAPT (0.66) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL23698299 0.80 ALDH1A1 (0.60) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL23698298 0.80 ALDH1A1 (0.60) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL23230120 0.79 MAPT (0.64) MAPTRAB9ANPC1KDM4EPKM
SCHEMBL28520366 0.78 DNM1 (0.61) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL21887094 0.77 DNM1 (0.72) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL30714864 0.77 MAPT (0.61) MAPTRAB9ANPC1KDM4EALDH1A1

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
EP-3858342-A1 ACYLHYDRAZONES FOR THE TREATMENT OF NEUROLOGICAL DISEASES Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2021-08-04 EP disclosed