SCHEMBL2559475

SCHEMBL2559475

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.60
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PARP1 P09874 1/20 0.50
MAPT P10636 5/20 0.49
KDM4E B2RXH2 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 5/20 0.46
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL2559904 0.86 PRSS1 (0.56) PRSS1LMNAPOLBSMN1; SMN2PARP1
SCHEMBL6113984 0.81 GAA (0.62) PRSS1LMNAPOLBSMN1; SMN2PARP1
SCHEMBL30969296 0.79 PRSS1 (0.56) PRSS1LMNAPOLBSMN1; SMN2PARP1
SCHEMBL23442159 0.78 PRSS1 (0.62) PRSS1LMNAPOLBSMN1; SMN2PARP1
SCHEMBL2559275 0.77 MAPK1 (0.67) PRSS1KDM4EKMT2A
SCHEMBL30969301 0.77 ALDH1A1 (0.60) PRSS1LMNAKDM4ETDP1MEN1
SCHEMBL16004968 0.76 ABCB1 (0.59) PRSS1LMNAPOLBSMN1; SMN2PARP1
SCHEMBL5518774 0.76 ALDH1A1 (0.65) LMNAPOLBSMN1; SMN2PARP1MAPT
SCHEMBL5305803 0.74 NPC1 (0.74) LMNAPOLBSMN1; SMN2MAPTKDM4E
SCHEMBL5150202 0.74 PRSS1 (0.64) PRSS1LMNAMAPTKDM4EGAA

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