SCHEMBL29954736

SCHEMBL29954736

O=CCc1cccc2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.46
CYP19A1 P11511 1/20 0.45
TBXAS1 P24557 1/20 0.45
ERN1 O75460 3/20 0.45
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NSD2 O96028 1/20 0.41
NCOA1 Q15788 2/20 0.40
CYP3A4 P08684 1/20 0.40
GLS O94925 2/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL6878679 1.00 MAPT (0.48) MAPTKDM4EPOLBCYP19A1TBXAS1
SCHEMBL3397178 0.87 LOXL2 (0.58) MAPTKDM4EERN1LMNAHTT
SCHEMBL27536668 0.83 MAPT (0.50) MAPTKDM4EPOLBCYP19A1TBXAS1
SCHEMBL8534353 0.82 CYP19A1 (0.50) MAPTKDM4EPOLBCYP19A1TBXAS1
SCHEMBL28879860 0.81 MAPT (0.48) MAPTKDM4EPOLBCYP19A1TBXAS1
SCHEMBL431328 0.81 MAPT (0.48) MAPTKDM4EPOLBCYP19A1TBXAS1
SCHEMBL30045799 0.80 CYP19A1 (0.48) MAPTKDM4EPOLBCYP19A1TBXAS1
SCHEMBL27594426 0.79 MAPT (0.45) MAPTKDM4EPOLBCYP19A1TBXAS1
SCHEMBL3967767 0.79 MAPT (0.54) MAPTKDM4EPOLBCYP19A1TBXAS1
SCHEMBL763204 0.79 MAPT (0.54) MAPTKDM4EPOLBCYP19A1TBXAS1

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