SCHEMBL11061703

SCHEMBL11061703

CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.69
KMT2A Q03164 7/20 0.69
MAPT P10636 6/20 0.69
MEN1 O00255 5/20 0.69
POLB P06746 3/20 0.69
HTT P42858 3/20 0.69
DDX3X O00571 1/20 0.69
CTDSP1 Q9GZU7 1/20 0.69
BAZ1A Q9NRL2 1/20 0.64
BLM P54132 1/20 0.61
MAPK1 P28482 3/20 0.61
ALDH1A1 P00352 4/20 0.60
HSP90AA1 P07900 1/20 0.57
HPGD P15428 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NLRP1 Q9C000 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
SCHEMBL7617456 0.89 SMN1; SMN2 (0.68) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL11627634 0.88 ALDH1A1 (0.70) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL11700983 0.85 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL1248559 0.82 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL1047211 0.82 MEN1 (1.00) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL19019393 0.81 TP53 (0.69)
SCHEMBL4555510 0.81 BAZ1A (0.60) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL11628466 0.81 GAA (0.67) SMN1; SMN2KMT2AMAPTMEN1HTT
SCHEMBL2341651 0.81 KMT2A (0.73) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL3836117 0.80 GAA (0.78) SMN1; SMN2KMT2AMAPTMEN1POLB

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-4432909-A Amine oxanilic acid salts as herbicide extenders STAUFFER CHEMICAL COMPANY (US) 1984-02-21 US disclosed
US-4380467-A Amine oxanilic acid salts as herbicide extenders STAUFFER CHEMICAL COMPANY (US) 1983-04-19 US disclosed