Nitrobenzene

Nitrobenzene

SCHEMBL28169097

O=C(O)Nc1ccccc1N1CCCC1.O=[N+]([O-])c1ccccc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.67
MAPT P10636 5/20 0.67
L3MBTL1 Q9Y468 6/20 0.64
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
HPGD P15428 1/20 0.64
ALOX12 P18054 1/20 0.64
CCR6 P51684 1/20 0.64
KCNH2 Q12809 1/20 0.64
CSF1R P07333 3/20 0.61
KMT2A Q03164 4/20 0.59
POLB P06746 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TDP1 Q9NUW8 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MEN1 O00255 1/20 0.55
KCNQ2 O43526 2/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL4318899 0.87 KCNQ2 (0.68) GAAMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL12582512 0.82 GAA (0.62) GAAMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30752017 0.81 ALDH1A1 (0.71) GAAMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1439589 0.81 ALDH1A1 (0.71) GAAMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3087034 0.80 MAPT (1.00) GAAMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13148019 0.76 CSF1R (1.00) GAAMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3978132 0.75 ALDH1A1 (0.78) GAAMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13148058 0.75 MAPT (0.68) GAAMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1439619 0.75 GAA (0.63) GAAMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL4326786 0.74 ALDH1A1 (0.70) L3MBTL1ALDH1A1SMN1; SMN2HPGDKMT2A

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-107011330-A BRUTON'S TYROSINE KINASE INHIBITORS 比奥根MA公司 2017-08-04 CN disclosed