SCHEMBL28059536

SCHEMBL28059536

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
PDE7A Q13946 1/20 0.47
TDP1 Q9NUW8 7/20 0.47
GPR35 Q9HC97 2/20 0.45
PLAU P00749 1/20 0.44
TSHR P16473 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 1/20 0.41
S100A4 P26447 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5780887 0.86 TDP1 (0.56) SMN1; SMN2TDP1GPR35PLAUTSHR
SCHEMBL2413571 0.83 SMN1; SMN2 (0.46) SMN1; SMN2PDE7ATDP1GPR35PLAU
SCHEMBL3345170 0.78 TDP1 (0.48) SMN1; SMN2TDP1GPR35PLAUTSHR
SCHEMBL28175713 0.77 TSHR (0.60) SMN1; SMN2TDP1GPR35PLAUTSHR
SCHEMBL29448254 0.75 TDP1 (0.60) SMN1; SMN2PDE7ATDP1GPR35TSHR
SCHEMBL24548 0.75 TDP1 (0.60) SMN1; SMN2PDE7ATDP1GPR35TSHR
2-Nitroaniline SCHEMBL29396517 0.74 PDE7A (0.62) SMN1; SMN2PDE7ATDP1GPR35PLAU
SCHEMBL10381945 0.74 PDE7A (0.62) SMN1; SMN2PDE7ATDP1GPR35PLAU
2-Nitroaniline SCHEMBL6000 0.74 PDE7A (0.62) SMN1; SMN2PDE7ATDP1GPR35PLAU
SCHEMBL17934 0.74 TSHR (0.59) SMN1; SMN2PDE7ATDP1GPR35TSHR

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-105377831-A Synthesis of 3- (5-amino-2-methyl-4-oxoquinazolin-3 (4H) -yl) piperidine-2, 6-dione CELGENE CORP 2016-03-02 CN disclosed