Nitrobenzene

Nitrobenzene

SCHEMBL8377803

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

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.76
ALDH1A1 P00352 3/20 0.76
CES1 P23141 3/20 0.61
CES2 O00748 2/20 0.61
TSHR P16473 3/20 0.59
TDP1 Q9NUW8 1/20 0.56
POLB P06746 2/20 0.55
MAPK1 P28482 1/20 0.55
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CRHBP P24387 1/20 0.52
ATM Q13315 1/20 0.52
CRHR2 Q13324 1/20 0.52
TLR9 Q9NR96 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
NPC1 O15118 1/20 0.52

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 SCHEMBL9736543 1.00 LMNA (0.76) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL1006772 0.95 LMNA (0.76) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL9509478 0.91 ALDH1A1 (0.70) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL27075815 0.90 ALDH1A1 (0.84) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL2029354 0.90 ALDH1A1 (0.84) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL3489404 0.90 ALDH1A1 (0.84) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL6858789 0.90 ALDH1A1 (0.84) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL28162070 0.90 ALDH1A1 (0.84) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL28486716 0.88 ALDH1A1 (0.73) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL28309740 0.88 ALDH1A1 (0.73) LMNAALDH1A1CES1CES2TSHR

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
EP-0678502-B1 Process for preparing glycoloylanilides CLARIANT GMBH (DE) 1999-03-31 EP disclosed
EP-0678502-A1 Process for preparing glycoloylanilides HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-25 EP disclosed