SCHEMBL29953136

SCHEMBL29953136

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.48
GAA P10253 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A1 P30531 2/20 0.40
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38

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
SCHEMBL2560607 1.00 NOTUM (0.48) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL29957636 1.00 NOTUM (0.48) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL2560235 0.86 KDM4E (0.62) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL29950907 0.86 KDM4E (0.62) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL29953582 0.86 KDM4E (0.62) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL2560204 0.85 NOTUM (0.59) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL29952998 0.85 NOTUM (0.59) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL29955236 0.85 NOTUM (0.59) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL2555803 0.85 GAA (0.57) NOTUMGAAKDM4EALDH1A1L3MBTL1
SCHEMBL15330773 0.81 NOTUM (0.57) NOTUMKDM4EALDH1A1HSD17B10MEN1

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