SCHEMBL28467006

SCHEMBL28467006

O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(C(Br)C(=O)O)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
GAA P10253 2/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PABPC1 P11940 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
EIF4H Q15056 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KDM4E B2RXH2 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL28464477 0.78 MAPT (0.64) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8048033 0.75 SMN1; SMN2 (0.58) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL10224151 0.75 MAPT (0.58) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL8057068 0.75 MAPT (0.58) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL7301504 0.75 HTT (0.71) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL2728938 0.74 TDP1 (0.46) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL2728943 0.74 TDP1 (0.46) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL5455180 0.70 GAA (0.64) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL9837193 0.70 GAA (0.60) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL28469510 0.70 MAPT (0.51) MAPTALDH1A1KMT2AMEN1GAA

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