SCHEMBL20101720

SCHEMBL20101720

O=C(COCCOCCNc1ccc([N+](=O)[O-])c2nonc12)ON1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 1/20 0.49
HRH3 Q9Y5N1 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
DPP4 P27487 2/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
RXRA P19793 1/20 0.42
MIF P14174 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 1/20 0.41
MYC P01106 2/20 0.40
MAX P61244 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL12900559 0.85 GSTM2 (0.51) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL21992413 0.83 DPP4 (0.31) DPP4DPP8DPP9
SCHEMBL596079 0.83 GSTM2 (0.61) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL13795300 0.83 GSTM2 (0.61) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL17748305 0.82 GSTM2 (0.58) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL17758327 0.78 GSTM2 (0.53) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL29675150 0.78 GSTM2 (0.57) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL18924049 0.77 GSTM2 (0.59) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL5191249 0.77 GSTM2 (0.55) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL31580439 0.77 GSTM2 (0.59) GSTM2HRH3MEN1KMT2AUSP2

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
US-20180120314-A1 FLUORESCENT POLYBRANCHED PROBES FOR DETECTING BACTERIA AND/OR FUNGI IN VITRO AND IN VIVO THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2018-05-03 US disclosed