SCHEMBL10359043

SCHEMBL10359043

O=[N+]([O-])c1cc(NNF)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 8/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
CYP19A1 P11511 1/20 0.41
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
LMNA P02545 4/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
XDH P47989 1/20 0.38
HSP90AA1 P07900 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 2/20 0.37
CA1 P00915 1/20 0.37
MMP2 P08253 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2137755 0.81 LMNA (0.55) ALDH1A1CYP2D6MAPTGAAMEN1
SCHEMBL9820882 0.79 MEN1 (0.54) MAPTGAAMEN1KMT2ALMNA
SCHEMBL22897750 0.79 ALDH1A1 (0.50) ALDH1A1CYP2D6MAPTKDM4EGAA
SCHEMBL10437967 0.77 ATM (0.56) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL29974945 0.77 ALDH1A1 (0.49) ALDH1A1CYP2D6MAPTKDM4EGAA
SCHEMBL23579273 0.75 MEN1 (0.57) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL18797039 0.75 MEN1 (0.53) ALDH1A1CYP2D6MAPTGAAMEN1
SCHEMBL18797038 0.75 MEN1 (0.53) ALDH1A1CYP2D6MAPTGAAMEN1
SCHEMBL10185112 0.73 MAPT (0.49) ALDH1A1CYP2D6MAPTKDM4EGAA
SCHEMBL4604698 0.73 MAPT (0.66) ALDH1A1CYP2D6MAPTGAAMEN1

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-0206435-B1 2,4-DIHALO-5-SUBSTITUTED PHENYLHYDRAZINES AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-11-14 EP claimed
EP-0206435-A2 2,4-Dihalo-5-substituted phenylhydrazines and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-12-30 EP claimed