Nitrobenzene

Nitrobenzene

SCHEMBL28494191

Nc1ccc(N)cc1.O=[N+]([O-])c1ccccc1.S

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
LMNA P02545 2/20 0.73
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
MAPT P10636 2/20 0.59
L3MBTL1 Q9Y468 3/20 0.50
ESR1 P03372 2/20 0.50
CYP19A1 P11511 2/20 0.50
ESR2 Q92731 2/20 0.50
CRHBP P24387 1/20 0.50
ATM Q13315 1/20 0.50
CRHR2 Q13324 1/20 0.50
TLR9 Q9NR96 1/20 0.50
TSHR P16473 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
PKM P14618 1/20 0.47
CYP3A4 P08684 2/20 0.47

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 SCHEMBL10947937 0.98 ALDH1A1 (0.77) ALDH1A1LMNAKMT2AMEN1MAPT
Nitrobenzene SCHEMBL718033 0.93 ALDH1A1 (0.76) ALDH1A1LMNAKMT2AMEN1MAPT
Benzidine SCHEMBL28853950 0.91 ALDH1A1 (0.68) ALDH1A1LMNAKMT2AMEN1MAPT
4-Nitroaniline SCHEMBL28372634 0.88 ALDH1A1 (0.95) ALDH1A1LMNAKMT2AMEN1MAPT
Nitrobenzene SCHEMBL16762280 0.88 ALDH1A1 (0.94) ALDH1A1LMNAKMT2AMEN1L3MBTL1
Nitrobenzene SCHEMBL27723328 0.88 ALDH1A1 (0.63) ALDH1A1LMNAKMT2AMEN1MAPT
Nitrobenzene SCHEMBL7685078 0.88 ALDH1A1 (0.63) ALDH1A1LMNAKMT2AMEN1MAPT
Nitrobenzene SCHEMBL28671223 0.87 ALDH1A1 (0.67) ALDH1A1LMNAKMT2AMEN1MAPT
4-Nitroaniline SCHEMBL13529022 0.85 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL9065915 0.85 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMEN1MAPT

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-113454180-B Acrylic emulsion pressure sensitive adhesive composition 株式会社LG化学 2023-04-11 CN disclosed
CN-113454180-A Acrylic emulsion pressure sensitive adhesive composition 株式会社LG化学 2021-09-28 CN disclosed
CN-112004896-A Method for preparing aqueous pressure-sensitive adhesive composition for clothing 株式会社LG化学 2020-11-27 CN disclosed