Nitrobenzene

Nitrobenzene

SCHEMBL28045073

CCNc1ccccc1CCO.O=[N+]([O-])c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 5/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HCAR3 P49019 1/20 0.41
RORC P51449 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 1/20 0.40
G6PD P11413 1/20 0.40
THRB P10828 1/20 0.39
PTPRF P10586 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
PLA2G1B P04054 1/20 0.38

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
SCHEMBL8283681 0.83 MEN1 (0.43) MAPTALDH1A1TSHRABCG2KMT2A
SCHEMBL15993986 0.80 TSHR (0.58) MAPTALDH1A1LMNATSHRHDAC6
Aniline SCHEMBL28045005 0.78 MEN1 (0.41) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL29110692 0.77 L3MBTL1 (0.54) MAPTALDH1A1TSHRABCG2HDAC6
Nitrobenzene SCHEMBL27935673 0.75 ALDH1A1 (0.67) MAPTALDH1A1LMNATSHRKMT2A
SCHEMBL28436702 0.75 CRHBP (0.51) MAPTALDH1A1LMNATSHRHDAC6
Nitrobenzene SCHEMBL7977386 0.75 ALDH1A1 (0.73) MAPTALDH1A1LMNATSHRKMT2A
Nitrobenzene SCHEMBL28070270 0.74 MAPT (0.45) MAPTALDH1A1LMNAHCAR3KMT2A
SCHEMBL8283669 0.74 POLB (0.41) MAPTALDH1A1TSHRHDAC6KMT2A
Nitrobenzene SCHEMBL21381350 0.73 ALDH1A1 (0.70) MAPTALDH1A1LMNATSHRKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484986-B Short-chain dehydrogenase and application thereof 沈阳药科大学 2022-07-15 CN disclosed
CN-111484986-A Short-chain dehydrogenase and application thereof 沈阳药科大学 2020-08-04 CN disclosed
CN-105198830-A Mirabegron preparation method UNIV HENAN NORMAL 2015-12-30 CN disclosed