SCHEMBL27685482

SCHEMBL27685482

CC(=O)Nc1cc(OC(C)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 3/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 2/20 0.47
GALR2 O43603 1/20 0.46
MITF O75030 1/20 0.46
HSP90AA1 P07900 1/20 0.46
XBP1 P17861 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
SCHEMBL6500093 0.88 MAPT (0.59) SMN1; SMN2MAPTNPSR1KMT2AMEN1
SCHEMBL1511316 0.87 SMN1; SMN2 (0.66) SMN1; SMN2MAPTNPSR1KMT2AMEN1
SCHEMBL2776809 0.83 MAPT (0.57) SMN1; SMN2MAPTNPSR1KMT2AMEN1
SCHEMBL11013231 0.82 MEN1 (0.51) SMN1; SMN2MAPTNPSR1KMT2AMEN1
SCHEMBL823830 0.81 ALDH1A1 (0.50) MAPTNPSR1KMT2AMEN1POLB
SCHEMBL4314789 0.79 ABCB1 (0.55) SMN1; SMN2MAPTNPSR1KMT2AMEN1
SCHEMBL11865334 0.79 KMT2A (0.48) SMN1; SMN2MAPTNPSR1KMT2AMEN1
SCHEMBL22535975 0.78 CYP3A4 (0.55) SMN1; SMN2MAPTNPSR1KMT2APOLB
SCHEMBL10790188 0.78 HTT (0.68) SMN1; SMN2MAPTNPSR1KMT2AMEN1
SCHEMBL11215556 0.78 NPSR1 (0.62) SMN1; SMN2MAPTNPSR1KMT2AMEN1

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
CN-101066929-A Process of preparing 4-amino-3-nitro phenol JIANGSU POLYTECHNIC COLLEGE (CN) 2007-11-07 CN disclosed