SCHEMBL2559904

SCHEMBL2559904

NC(=O)c1ccc(OCC=O)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.56
PARP1 P09874 1/20 0.52
LMNA P02545 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 6/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 4/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 2/20 0.46
HTT P42858 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ATM Q13315 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
SCHEMBL2559475 0.86 PRSS1 (0.60) PRSS1PARP1LMNASMN1; SMN2POLB
SCHEMBL6113984 0.83 GAA (0.62) PRSS1PARP1LMNASMN1; SMN2POLB
SCHEMBL16004968 0.78 ABCB1 (0.59) PRSS1PARP1LMNASMN1; SMN2POLB
SCHEMBL5518774 0.78 ALDH1A1 (0.65) PARP1LMNASMN1; SMN2POLBMAPT
SCHEMBL22579700 0.77 ALDH1A1 (0.57) LMNASMN1; SMN2MAPTKDM4ETDP1
SCHEMBL30969296 0.76 PRSS1 (0.56) PRSS1PARP1LMNASMN1; SMN2POLB
SCHEMBL2559595 0.75 MAPK1 (0.70) PRSS1MAPTKDM4EKMT2AMEN1
SCHEMBL7641951 0.75 HCAR3 (0.56) PRSS1LMNAKDM4ETDP1GAA
SCHEMBL23442159 0.75 PRSS1 (0.62) PRSS1PARP1LMNASMN1; SMN2POLB
SCHEMBL6112698 0.74 PARP1 (0.55) PRSS1PARP1LMNASMN1; SMN2POLB

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 7 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
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed