SCHEMBL2553637

SCHEMBL2553637

COc1ccc(OCC(=O)NCCC#N)c(C=O)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
RAB9A P51151 3/20 0.61
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
ERN1 O75460 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
SCHEMBL2555827 0.92 KDM4E (0.52) KDM4ERAB9AALDH1A1MAPTPOLB
SCHEMBL29953783 0.91 RAB9A (0.64) KDM4ERAB9AALDH1A1MAPTATM
SCHEMBL2554836 0.87 KDM4E (0.69) KDM4ERAB9AALDH1A1MAPTATM
SCHEMBL15331584 0.86 RAB9A (0.64) KDM4ERAB9AALDH1A1MAPTATM
SCHEMBL29951786 0.85 KDM4E (0.66) KDM4ERAB9AALDH1A1MAPTATM
SCHEMBL29952430 0.84 RAB9A (0.72) KDM4ERAB9AALDH1A1MAPTATM
SCHEMBL2554386 0.83 NPSR1 (0.49) KDM4ERAB9AALDH1A1MAPTNPC1
SCHEMBL2560184 0.83 RAB9A (0.64) KDM4ERAB9AALDH1A1MAPTATM
SCHEMBL15332801 0.81 ALDH1A1 (0.70) KDM4ERAB9AALDH1A1MAPTPOLB
SCHEMBL2561317 0.81 ALDH1A1 (0.63) KDM4EALDH1A1MAPTPOLBHSD17B10

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