SCHEMBL28464477

SCHEMBL28464477

O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
GAA P10253 2/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
PABPC1 P11940 1/20 0.52
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52
PTPN11 Q06124 1/20 0.52
EIF4H Q15056 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
CXCR1 P25024 1/20 0.52
CXCR2 P25025 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 2/20 0.51
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50

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
SCHEMBL25349869 0.83 MEN1 (0.65) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL8048033 0.81 SMN1; SMN2 (0.58) MAPTGAAMEN1KMT2APABPC1
SCHEMBL10224151 0.81 MAPT (0.58) MAPTGAAMEN1KMT2APABPC1
SCHEMBL8057068 0.81 MAPT (0.58) MAPTGAAMEN1KMT2APABPC1
SCHEMBL7301504 0.80 HTT (0.71) MAPTGAAMEN1KMT2ATDP1
SCHEMBL14351715 0.78 KCNMA1 (0.78) MAPTGAAMEN1KMT2ACXCR1
SCHEMBL28467006 0.78 MAPT (0.55) MAPTGAAMEN1KMT2APABPC1
SCHEMBL9837193 0.78 GAA (0.60) MAPTGAAMEN1KMT2ACXCR1
SCHEMBL5455180 0.78 GAA (0.64) MAPTGAAMEN1KMT2ACXCR1
SCHEMBL28467905 0.78 TTR (0.56) MAPTMEN1KMT2ATDP1HDAC6

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
CN-111777526-A N-benzoylaniline derivatives, preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2020-10-16 CN claimed
CN-111777526-A N-benzoylaniline derivatives, preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2020-10-16 CN disclosed