Nitrobenzene

Nitrobenzene

SCHEMBL16968450

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

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.73
▸ LMNA P02545 2/20 0.73
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ TLR9 Q9NR96 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ NFE2L2 Q16236 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43

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 SCHEMBL16968449 0.91 ALDH1A1 (0.80) ALDH1A1LMNAL3MBTL1TSHRMEN1
Nitrobenzene SCHEMBL28448771 0.91 ALDH1A1 (0.80) ALDH1A1LMNAL3MBTL1TSHRMEN1
Nitrobenzene SCHEMBL2358164 0.85 ALDH1A1 (1.00) ALDH1A1LMNAL3MBTL1TSHRMEN1
Nitrobenzene SCHEMBL15525745 0.85 ALDH1A1 (1.00) ALDH1A1LMNAL3MBTL1TSHRMEN1
Nitrobenzene SCHEMBL1330825 0.85 — —
Nitrobenzene SCHEMBL2255264 0.85 ALDH1A1 (1.00) ALDH1A1LMNAL3MBTL1TSHRMEN1
Nitrobenzene SCHEMBL20411 0.85 — —
Nitrobenzene SCHEMBL1330714 0.85 — —
Nitrobenzene SCHEMBL9669095 0.85 — —
SCHEMBL936230 0.83 NPC1 (0.54) ALDH1A1LMNATSHRMEN1KMT2A

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
US-9601706-B2 Resin composition for forming protective film, protective film, pattern forming method, method for manufacturing electronic device, and electronic device FUJIFILM CORPORATION (JP) 2017-03-21 — — US disclosed
US-20150221881-A1 RESIN COMPOSITION FOR FORMING PROTECTIVE FILM, PROTECTIVE FILM, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2015-08-06 — — US disclosed
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