SCHEMBL28965007

SCHEMBL28965007

O=C(Nc1ccccc1)C(Br)[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ATM Q13315 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.45
EPHX1 P07099 1/20 0.45
TSHR P16473 1/20 0.45
EPHX2 P34913 1/20 0.45
CDK9 P50750 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL4364196 0.81 POLB (0.53) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL8509314 0.80 ALDH1A1 (0.56) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL28226450 0.79 POLB (0.50) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL3192618 0.79 POLB (0.50) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL7836270 0.79 MAPT (0.54) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL391701 0.77 POLB (0.58) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL1800895 0.77 POLB (0.61) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL9068980 0.77 POLB (0.61) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL8530976 0.76 MAPT (0.56) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL10408623 0.75 MEN1 (0.46) POLBMAPTALDH1A1MEN1KMT2A

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-108191674-A A kind of synthetic method of benzidine compound 邵玉田 2018-06-22 CN disclosed