SCHEMBL31067261

SCHEMBL31067261

O=[N+]([O-])c1cc(F)c2ncccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.68
TDP1 Q9NUW8 3/20 0.68
KDM4E B2RXH2 3/20 0.68
HTT P42858 3/20 0.68
RAB9A P51151 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
PKM P14618 2/20 0.68
CASP6 P55212 2/20 0.68
NPC1 O15118 2/20 0.68
NFKB1 P19838 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
ALDH1A1 P00352 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
LMNA P02545 3/20 0.50
PDE10A Q9Y233 1/20 0.50
PDE4D Q08499 4/20 0.49
PDE4A P27815 2/20 0.48

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
SCHEMBL4329054 0.82 MAPT (0.69) MAPTTDP1KDM4EHTTRAB9A
SCHEMBL15007822 0.81 MAPT (0.68) MAPTTDP1KDM4EHTTRAB9A
SCHEMBL13977911 0.81 MAPT (0.68) MAPTTDP1KDM4EHTTRAB9A
SCHEMBL3113854 0.81 MAPT (0.68) MAPTTDP1KDM4EHTTRAB9A
SCHEMBL2167844 0.81 MAPT (1.00) MAPTTDP1KDM4EHTTRAB9A
Bromide SCHEMBL5865072 0.79 MAPT (0.97) MAPTTDP1KDM4EHTTRAB9A
SCHEMBL15093403 0.78 MAPT (0.64) MAPTTDP1KDM4EHTTRAB9A
SCHEMBL25206412 0.77 MAPT (0.63) MAPTTDP1KDM4EHTTRAB9A
SCHEMBL31067276 0.77 ALDH1A1 (0.57) MAPTTDP1KDM4EHTTRAB9A
SCHEMBL5865168 0.77 MAPT (0.62) MAPTTDP1KDM4EHTTRAB9A

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
CN-118496154-A Quinoline group-containing triptycene diamine monomer, polymer and preparation method 吉林大学 2024-08-16 CN disclosed