4-Nitrobenzoic Acid

4-Nitrobenzoic Acid

SCHEMBL10439552

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

nearest known ligand 0.95

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.95
SRD5A2 P31213 2/20 0.84
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
CES1 P23141 2/20 0.68
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CES2 O00748 1/20 0.64
MAPK1 P28482 2/20 0.63
TSHR P16473 1/20 0.63
ALDH1A1 P00352 1/20 0.63
POLB P06746 1/20 0.58
GSK3B P49841 1/20 0.57
TP53 P04637 1/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57

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 SCHEMBL28023943 0.98 TDP1 (1.00) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL43476 0.98 TDP1 (1.00) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL9316553 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL1566327 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL8025368 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL17332086 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL3860571 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL11331124 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL7553997 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL17332065 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1

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
EP-0396356-A1 Thermo sensitive record medium NCR CORPORATION (US) 1990-11-07 EP claimed
EP-0396356-A1 Thermo sensitive record medium NCR CORPORATION (US) 1990-11-07 EP disclosed
EP-0396356-A1 Thermo sensitive record medium NCR CORPORATION (US) 1990-11-07 EP disclosed