4-Nitrobenzoic Acid

4-Nitrobenzoic Acid

SCHEMBL4976592

NC1CCCCC1.O=C(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
SRD5A2 P31213 2/20 0.60
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CES1 P23141 2/20 0.49
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.48
CES2 O00748 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPT P10636 1/20 0.47
EPHX1 P07099 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46

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
Terephthalic Acid SCHEMBL27612294 0.85 SRD5A2 (0.56) SRD5A2KMT2ATSHRALDH1A1CA1
Cyclohexylamine SCHEMBL27517421 0.84 CYP3A4 (0.50) TDP1SRD5A2KMT2AMEN1ALDH1A1
Cyclohexylamine SCHEMBL4420772 0.82 TP53 (0.69) TSHRALDH1A1CES1POLBCES2
Nitrobenzene SCHEMBL11741575 0.82 ALDH1A1 (0.59) KMT2AMEN1TSHRALDH1A1CES1
4-Nitrobenzoic Acid SCHEMBL5834725 0.81 TDP1 (0.66) TDP1SRD5A2KMT2AMEN1TSHR
4-Nitrobenzoic Acid SCHEMBL5834720 0.81 TDP1 (0.66) TDP1SRD5A2KMT2AMEN1TSHR
Terephthalic Acid SCHEMBL28023943 0.81 TDP1 (1.00) TDP1SRD5A2KMT2AMEN1TSHR
4-Nitrobenzoic Acid SCHEMBL43476 0.81 TDP1 (1.00) TDP1SRD5A2KMT2AMEN1TSHR
4-Nitrobenzoic Acid SCHEMBL27900174 0.79 TDP1 (0.88) TDP1SRD5A2KMT2AMEN1TSHR
4-Nitrobenzoic Acid SCHEMBL17332086 0.79 TDP1 (0.95) TDP1SRD5A2KMT2AMEN1TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954879-A2 AN ANTICORROSIVE PAPER OR PAPERBOARD MATERIAL INTERNATIONAL PAPER COMPANY (US) 2008-08-13 EP claimed
WO-2007053597-A2 AN ANTICORROSIVE PAPER OR PAPERBOARD MATERIAL INTERNATIONAL PAPER COMPANY (US) 2007-05-10 WO claimed
US-20070098932-A1 Anticorrosive paper or paperboard material INTERNATIONAL PAPER COMPANY 2007-05-03 US claimed
EP-1954879-A2 AN ANTICORROSIVE PAPER OR PAPERBOARD MATERIAL INTERNATIONAL PAPER COMPANY (US) 2008-08-13 EP disclosed
WO-2007053597-A2 AN ANTICORROSIVE PAPER OR PAPERBOARD MATERIAL INTERNATIONAL PAPER COMPANY (US) 2007-05-10 WO disclosed
US-20070098932-A1 Anticorrosive paper or paperboard material INTERNATIONAL PAPER COMPANY 2007-05-03 US disclosed