SCHEMBL29952998

SCHEMBL29952998

N#Cc1c(F)cccc1N1CCC[C@H](C(=O)O)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.59
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SERPINE1 P05121 1/20 0.43
SLC6A1 P30531 3/20 0.42
DPP4 P27487 1/20 0.42
DPP9 Q86TI2 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL2560204 1.00 NOTUM (0.59) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL29955236 1.00 NOTUM (0.59) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL29953582 0.86 KDM4E (0.62) NOTUMKDM4EALDH1A1HSD17B10GAA
SCHEMBL2560235 0.86 KDM4E (0.62) NOTUMKDM4EALDH1A1HSD17B10GAA
SCHEMBL29950907 0.86 KDM4E (0.62) NOTUMKDM4EALDH1A1HSD17B10GAA
SCHEMBL29957636 0.85 NOTUM (0.48) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2560607 0.85 NOTUM (0.48) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL29953136 0.85 NOTUM (0.48) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2557573 0.85 KDM4E (0.67) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL15330773 0.81 NOTUM (0.57) NOTUMKDM4EALDH1A1HSD17B10JAK2

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