SCHEMBL29955075

SCHEMBL29955075

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
KIF11 P52732 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
DYRK1A Q13627 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSK P43235 1/20 0.37
EPHX2 P34913 1/20 0.33
MPL P40238 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2C P28335 2/20 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
SCHEMBL29956762 0.95 PIM1 (0.47) PIM1PIM3KIF11SMN1; SMN2KDM4E
SCHEMBL29951772 0.82 DYRK1A (0.40) HTTDYRK1ASLC6A4HTR2C
SCHEMBL29956616 0.80 MEN1 (0.41) KDM4EMEN1KMT2AALDH1A1DYRK1A
SCHEMBL29951956 0.80 TRIM24 (0.41) KIF11KDM4EMEN1KMT2AALDH1A1
SCHEMBL29950867 0.76 ALDH1A1 (0.53) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL29953449 0.76 FEN1 (0.38) ALDH1A1DYRK1ASLC6A4HTR2C
SCHEMBL29955079 0.73 MEN1 (0.43) KDM4EMEN1KMT2AALDH1A1DYRK1A
SCHEMBL29954635 0.73 PIM1 (0.43) PIM1PIM3KDM4EALDH1A1DYRK1A
SCHEMBL29952619 0.73 TRIM24 (0.43) KIF11KDM4EMEN1KMT2AALDH1A1
SCHEMBL29957285 0.73 CNR1 (0.45) MEN1KMT2A

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