SCHEMBL28211429

SCHEMBL28211429

O=C(NC(c1ccccc1)c1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MGLL Q99685 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
FAAH O00519 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
SRD5A2 P31213 1/20 0.44
ALOX5 P09917 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL18375511 0.86 ALDH1A1 (0.67) ALDH1A1MGLLSMN1; SMN2GAAMEN1
SCHEMBL8132431 0.83 SLC1A3 (0.56) ALDH1A1GAAFAAHMEN1KMT2A
SCHEMBL22716784 0.83 ALDH1A1 (0.48) ALDH1A1MGLLSMN1; SMN2GAAFNTA
SCHEMBL28101871 0.83 GAA (0.49) ALDH1A1MGLLSMN1; SMN2GAAFNTA
SCHEMBL21447233 0.82 MGLL (0.49) ALDH1A1MGLLSMN1; SMN2GAAFNTA
SCHEMBL29688104 0.82 MGLL (0.49) ALDH1A1MGLLSMN1; SMN2GAAFNTA
SCHEMBL7423587 0.81 MGLL (0.53) ALDH1A1MGLLSMN1; SMN2GAAFAAH
SCHEMBL16015759 0.79 ALDH1A1 (0.50) ALDH1A1MGLLSMN1; SMN2GAAMEN1
SCHEMBL7257343 0.79 MGLL (0.57) ALDH1A1MGLLSMN1; SMN2GAABCL9
SCHEMBL29935348 0.78 MGLL (0.57) ALDH1A1MGLLSMN1; SMN2GAABCL9

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-105384687-B Quinolinones compound and its applied in medicine 广东东阳光药业有限公司 2018-05-01 CN disclosed