Nitrobenzene

Nitrobenzene

SCHEMBL7748458

O=[N+]([O-])c1ccc([N+](=O)[O-])cc1.O=[N+]([O-])c1ccccc1

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.94
LMNA P02545 2/20 0.94
L3MBTL1 Q9Y468 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
CRHBP P24387 1/20 0.67
ATM Q13315 1/20 0.67
CRHR2 Q13324 1/20 0.67
TLR9 Q9NR96 1/20 0.67
HPGD P15428 1/20 0.67
ALOX12 P18054 1/20 0.67
CES1 P23141 2/20 0.64
CES2 O00748 1/20 0.64
TSHR P16473 1/20 0.62
ACHE P22303 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
POLB P06746 2/20 0.57
MAPK1 P28482 1/20 0.57
CYP1A2 P05177 1/20 0.57

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
Nitrobenzene SCHEMBL1330714 0.97
Nitrobenzene SCHEMBL15525745 0.97 ALDH1A1 (1.00) ALDH1A1LMNAL3MBTL1MEN1KMT2A
Nitrobenzene SCHEMBL2358164 0.97 ALDH1A1 (1.00) ALDH1A1LMNAL3MBTL1MEN1KMT2A
Nitrobenzene SCHEMBL2255264 0.97 ALDH1A1 (1.00) ALDH1A1LMNAL3MBTL1MEN1KMT2A
Nitrobenzene SCHEMBL9669095 0.97
Nitrobenzene SCHEMBL1330825 0.97
Nitrobenzene SCHEMBL20411 0.97
Nitrobenzene SCHEMBL25293390 0.94 ALDH1A1 (0.94) ALDH1A1LMNAL3MBTL1MEN1KMT2A
Nitrobenzene SCHEMBL11762834 0.94 ALDH1A1 (0.94) ALDH1A1LMNAL3MBTL1MEN1KMT2A
Nitrobenzene SCHEMBL4905356 0.94

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-209259975-U A kind of production system of the aromatic amine of safety and environmental protection 淮安绿源化工科技有限公司 2019-08-16 CN disclosed
CN-109232272-A A kind of production system and technique of the aromatic amine of safety and environmental protection 淮安绿源化工科技有限公司 2019-01-18 CN disclosed
US-6180320-B1 Method of manufacturing a semiconductor device having a fine pattern, and semiconductor device manufactured thereby MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2001-01-30 US disclosed