4-Nitroaniline

4-Nitroaniline

SCHEMBL10698315

NC(CCC(=O)NCC(=O)NCC(=O)O)C(=O)O.NCC(=O)NCC(=O)O.Nc1ccc([N+](=O)[O-])cc1.Nc1ccc([N+](=O)[O-])cc1C(=O)CCC(N)C(=O)O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.38
MITF O75030 1/20 0.38
PTGS1 P23219 1/20 0.35
GSTK1 Q9Y2Q3 1/20 0.35
KMO O15229 1/20 0.35
GRM8 O00222 5/20 0.35
GRM4 Q14833 5/20 0.35
GRM6 O15303 2/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
MMP2 P08253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9543018 0.81 KMO (0.50) KMOGRM8GRM4GRM6GAA
SCHEMBL639675 0.81 KMO (0.50) KMOGRM8GRM4GRM6GAA
SCHEMBL465890 0.81 KMO (0.50) KMOGRM8GRM4GRM6GAA
Water SCHEMBL6282445 0.80 KMO (0.49) KMOGRM8GRM4GRM6GAA
Hydrochloric Acid SCHEMBL10950905 0.80 KMO (0.49) KMOGRM8GRM4GRM6GAA
Iodide SCHEMBL10947423 0.80 KMO (0.49) KMOGRM8GRM4GRM6GAA
Bromide SCHEMBL10946974 0.80 KMO (0.49) KMOGRM8GRM4GRM6GAA
Hydrochloric Acid SCHEMBL11310889 0.80 KMO (0.49) KMOGRM8GRM4GRM6GAA
Glutamic Acid SCHEMBL3126271 0.73 GRM8 (0.53) KMOGRM8GRM4GRM6MAPT
Glutamic Acid SCHEMBL29088693 0.72 GRM8 (0.51) KMOGRM8GRM4GRM6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4769447-A SUBSTRATES FOR G-GLUTAMYL TRANSFERASE DETERMINATION BOEHRINGER MANNHEIM GMBH (DE) 1988-09-06 US disclosed