SCHEMBL2561960

SCHEMBL2561960

O=C(O)CC1CCCN(c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
LMNA P02545 3/20 0.59
MAPT P10636 4/20 0.46
PTPN1 P18031 1/20 0.45
GRM5 P41594 1/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 3/20 0.42
KMT2A Q03164 3/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL29954516 0.81 ALDH1A1 (0.69) ALDH1A1LMNAMAPTGRM5KDM4E
SCHEMBL2559422 0.81 ALDH1A1 (0.69) ALDH1A1LMNAMAPTGRM5KDM4E
SCHEMBL29956907 0.81 ALDH1A1 (0.69) ALDH1A1LMNAMAPTGRM5KDM4E
SCHEMBL30879181 0.80 ALDH1A1 (0.55) ALDH1A1LMNAMAPTGAAHTT
SCHEMBL18600280 0.80 ALDH1A1 (0.55) ALDH1A1LMNAMAPTGAAHTT
SCHEMBL3436184 0.79 LMNA (0.64) ALDH1A1LMNAMAPTGRM5KDM4E
SCHEMBL9983995 0.79 ALDH1A1 (0.57) ALDH1A1LMNAMAPTGRM5POLB
SCHEMBL14206405 0.79 LMNA (0.53) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL14206762 0.79 LMNA (0.53) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL15913324 0.78 ALDH1A1 (0.56) ALDH1A1LMNAMAPTGRM5KDM4E

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