SCHEMBL29954597

SCHEMBL29954597

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
CTSK P43235 4/20 0.36
CTSB P07858 3/20 0.36
CTSS P25774 3/20 0.36
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2552397 0.87 MAPT (0.49) HPGDALDH1A1L3MBTL1KDM4ETDP1
SCHEMBL2562763 0.86 HPGD (0.41) HPGDALDH1A1L3MBTL1KDM4ETDP1
SCHEMBL27711029 0.85 HPGD (0.43) HPGDALDH1A1L3MBTL1KDM4ETDP1
SCHEMBL29951726 0.83 HTT (0.39) ALDH1A1CTSKCTSBCTSSKDM4E
SCHEMBL15330401 0.82 ALDH1A1 (0.45) HPGDALDH1A1L3MBTL1KDM4ETDP1
SCHEMBL2558206 0.81 L3MBTL1 (0.41) HPGDALDH1A1L3MBTL1KDM4ESIGMAR1
SCHEMBL2560224 0.81 ALDH1A1 (0.47) HPGDALDH1A1L3MBTL1KDM4ETDP1
SCHEMBL2555957 0.81 HPGD (0.41) HPGDALDH1A1L3MBTL1KDM4ETDP1
SCHEMBL29957137 0.81 KDM4E (0.42) HPGDALDH1A1L3MBTL1KDM4ETDP1
SCHEMBL29952645 0.80 SIGMAR1 (0.43) HPGDALDH1A1KDM4ETDP1SIGMAR1

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 1 patent. 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