SCHEMBL8980342

SCHEMBL8980342

CC(=O)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 7/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.51
GAA P10253 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.49
ALDH3A1 P30838 1/20 0.49
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
SCHEMBL29833583 0.89 HTT (0.60) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL890785 0.89 HTT (0.60) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL6200815 0.88 HTT (0.58) HTTSMN1; SMN2MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL11776690 0.88 HTT (0.58) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11776685 0.88 HTT (0.58) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11314343 0.85 ALDH1A1 (0.64) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11526803 0.85 HTT (0.71) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL12202770 0.84 AR (0.55) HTTSMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL358355 0.82 HTT (0.63) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL3164500 0.82 ALDH1A1 (0.66) HTTSMN1; SMN2MAPTKMT2AMEN1

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-5571822-A AMINO-2-PHENYL-4-QUINOLONE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-05 US disclosed
WO-1996010563-A1 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-04-11 WO disclosed