SCHEMBL29954635

SCHEMBL29954635

O=Cc1c(C2CC2)[nH]c2c(Br)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.43
PIM3 Q86V86 2/20 0.43
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A4 P31645 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
CDK1 P06493 2/20 0.34
GSK3B P49841 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CCNB2 O95067 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
DYRK1A Q13627 2/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33

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
SCHEMBL29952619 0.82 TRIM24 (0.43) KDM4ECDK1GSK3BCDK5CDK5R1
SCHEMBL29955079 0.82 MEN1 (0.43) KDM4ESLC6A4CDK1GSK3BCDK5
SCHEMBL29953449 0.82 FEN1 (0.38) SLC6A4GSK3BCDK5CDK5R1DYRK1A
SCHEMBL29956762 0.78 PIM1 (0.47) PIM1PIM3ENPP3ENPP1KDM4E
SCHEMBL29955208 0.78 ALDH1A1 (0.56) KDM4EHSD17B10DYRK1ACA12CA9
SCHEMBL29952127 0.78
SCHEMBL29951956 0.77 TRIM24 (0.41) KDM4EDYRK1AAHRALDH1A1
SCHEMBL29956616 0.77 MEN1 (0.41) KDM4ESLC6A4CDK1GSK3BCDK5
SCHEMBL29951772 0.77 DYRK1A (0.40) SLC6A4GSK3BDYRK1AGSK3A
SCHEMBL7254612 0.74 AHR (0.43) HSD17B10GSK3BAURKAAHRALDH1A1

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