SCHEMBL29951772

SCHEMBL29951772

O=Cc1c(C2CCCCC2)[nH]c2c(F)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.37
CNR1 P21554 1/20 0.37
FEN1 P39748 1/20 0.36
OPRL1 P41146 1/20 0.35
DRD4 P21917 1/20 0.34
FFAR2 O15552 2/20 0.34
SLC6A4 P31645 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCB1 P08183 1/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
MAPK10 P53779 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
SCHEMBL29953449 0.94 FEN1 (0.38) DYRK1ANOS1NOS2NOS3CNR1
SCHEMBL29953370 0.83 APOL1 (0.35) HTR2AHTR2CKCNH2
SCHEMBL29957613 0.83 NOS2 (0.40) DYRK1ANOS1NOS2NOS3HTR2A
SCHEMBL29951956 0.83 TRIM24 (0.41) DYRK1AGAA
SCHEMBL29956616 0.83 MEN1 (0.41) DYRK1AOPRL1SLC6A4GSK3B
SCHEMBL29955075 0.82 PIM1 (0.45) DYRK1ASLC6A4HTR2CHTT
SCHEMBL29954538 0.81 FFAR2 (0.34) DYRK1AFFAR2
SCHEMBL29951429 0.81 APOL1 (0.33)
SCHEMBL29954328 0.81 AR (0.35) NOS1NOS2NOS3FFAR2
SCHEMBL29950867 0.80 ALDH1A1 (0.53) DYRK1AGAAHTTABCB1MAPK10

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