SCHEMBL21901505

SCHEMBL21901505

CN[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ TDP1 Q9NUW8 7/20 0.43
▸ ATM Q13315 2/20 0.43
▸ ACE P12821 1/20 0.42
▸ POLB P06746 4/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ CA1 P00915 5/20 0.41
▸ CA2 P00918 5/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAN2B1 O00754 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 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
SCHEMBL9931542 0.91 TDP1 (0.48) MEN1KMT2AGAATDP1ATM
SCHEMBL3754005 0.91 TDP1 (0.48) MEN1KMT2AGAATDP1ATM
SCHEMBL29400712 0.91 TDP1 (0.48) MEN1KMT2AGAATDP1ATM
SCHEMBL18206800 0.90 CA1 (0.49) MEN1KMT2AGAATDP1ATM
SCHEMBL18206801 0.90 CA1 (0.49) MEN1KMT2AGAATDP1ATM
SCHEMBL30895563 0.87 MEN1 (0.48) MEN1KMT2AGAATDP1ATM
SCHEMBL12604209 0.87 MEN1 (0.48) MEN1KMT2AGAATDP1ATM
SCHEMBL18978667 0.86 TDP1 (0.40) MEN1KMT2AGAATDP1ATM
SCHEMBL18221182 0.86 MEN1 (0.46) MEN1KMT2AGAATDP1ATM
SCHEMBL17227817 0.86 MEN1 (0.46) MEN1KMT2AGAATDP1ATM

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
WO-2020081744-A1 IMMUNOMODULATING POLYNUCLEOTIDE CONJUGATES AND METHODS OF USE TOLLNINE, INC. (US) 2020-04-23 — — WO disclosed
Send feedback