4-Nitrobenzoic Acid

4-Nitrobenzoic Acid

SCHEMBL21644729

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

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
SRD5A2 P31213 2/20 0.60
MAPK1 P28482 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
PLA2G4B P0C869 1/20 0.49
CES1 P23141 1/20 0.49
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
Ethyl Acetate SCHEMBL28503452 0.89 MAPK1 (0.71) TDP1MAPK1MEN1KMT2AMAPT
Ethyl Acetate SCHEMBL27606833 0.87 ALOX5 (0.61) TDP1SRD5A2MAPK1MAPTALDH1A1
4-Nitrobenzoic Acid SCHEMBL28690722 0.86 TDP1 (0.64) TDP1SRD5A2MAPK1MEN1KMT2A
Nitrobenzene SCHEMBL9326043 0.85 ALDH1A1 (0.55) MAPK1MEN1KMT2AMAPTALDH1A1
4-Nitrobenzoic Acid SCHEMBL27935693 0.83 TDP1 (0.81) TDP1SRD5A2MAPK1MEN1KMT2A
4-Nitrobenzoic Acid SCHEMBL28469819 0.83 TDP1 (0.64) TDP1SRD5A2MAPK1MEN1KMT2A
Ethyl Acetate SCHEMBL27930046 0.83 SMN1; SMN2 (0.50) MAPK1KMT2AMAPTALDH1A1KDM4E
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21644730 0.83 KCNJ1 (0.64) TDP1MAPK1MEN1KMT2AMAPT
4-Nitrobenzoic Acid SCHEMBL28469820 0.82 TDP1 (0.72) TDP1SRD5A2MAPK1MEN1KMT2A
4-Nitrobenzoic Acid SCHEMBL21246859 0.82 TDP1 (0.78) TDP1SRD5A2MAPK1MEN1KMT2A

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-11933677-B2 Temperature detecting material, temperature detecting ink using same, temperature indicator, and product control system HITACHI INDUSTRIAL EQUIPMENT SYSTEMS CO., LTD. (JP) 2024-03-19 US disclosed
US-20200041359-A1 Temperature Detecting Material, Temperature Detecting Ink Using Same, Temperature Indicator, and Product Control System HITACHI INDUSTRIAL EQUIPMENT SYSTEMS CO., LTD. (JP) 2020-02-06 US disclosed