SCHEMBL15329966

SCHEMBL15329966

O=CC(C=O)n1cc([N+](=O)[O-])cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
F2 P00734 2/20 0.40
PLAU P00749 2/20 0.40
ELANE P08246 2/20 0.40
LMNA P02545 5/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MAPK1 P28482 2/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
HSP90AA1 P07900 1/20 0.33
POLB P06746 2/20 0.32

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
SCHEMBL3264887 0.78 RXFP1 (0.43) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL574383 0.78 RXFP1 (0.49) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL19010799 0.75 RXFP1 (0.44) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL23229770 0.72 RXFP1 (0.51) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL31085494 0.72 ACHE (0.48) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL16975455 0.71 SMN1; SMN2 (0.45) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL20518839 0.71 RXFP1 (0.44) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL13653613 0.71 SMN1; SMN2 (0.43) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL25438635 0.71 RXFP1 (0.44) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL19010737 0.71 RXFP1 (0.56) RXFP1SMN1; SMN2F2PLAUELANE

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-8143369-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-27 US disclosed