SCHEMBL2552397

SCHEMBL2552397

N#CCCNC(=O)CN1CCCC(C=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
SIGMAR1 Q99720 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM3 P20309 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL29954597 0.87 HPGD (0.41) MAPTALDH1A1HPGDTDP1SIGMAR1
SCHEMBL2557343 0.84 MAPT (0.47) MAPTALDH1A1HSD17B10TDP1SIGMAR1
SCHEMBL15330401 0.83 ALDH1A1 (0.45) ALDH1A1HPGDTDP1SIGMAR1SMN1; SMN2
SCHEMBL2560224 0.82 ALDH1A1 (0.47) ALDH1A1HPGDTDP1SIGMAR1SMN1; SMN2
SCHEMBL2554840 0.81 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDTDP1SIGMAR1
SCHEMBL29952645 0.81 SIGMAR1 (0.43) ALDH1A1HPGDTDP1SIGMAR1KDM4E
SCHEMBL27711029 0.80 HPGD (0.43) ALDH1A1HPGDTDP1SIGMAR1KDM4E
SCHEMBL15331882 0.80 ALDH1A1 (0.60) ALDH1A1HPGDTDP1SIGMAR1SMN1; SMN2
SCHEMBL2562763 0.79 HPGD (0.41) ALDH1A1HPGDTDP1SIGMAR1KDM4E
SCHEMBL29957137 0.79 KDM4E (0.42) ALDH1A1HPGDTDP1SIGMAR1SMN1; SMN2

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