SCHEMBL25297663

SCHEMBL25297663

CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1ccc(N)s1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ GAA P10253 1/20 0.51
▸ TDP1 Q9NUW8 3/20 0.44
▸ ATM Q13315 1/20 0.44
▸ SUCNR1 Q9BXA5 8/20 0.44
▸ NPSR1 Q6W5P4 6/20 0.43
▸ POLB P06746 3/20 0.43
▸ MAPT P10636 3/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL25297664 1.00 MEN1 (0.51) MEN1KMT2AGAATDP1ATM
SCHEMBL24344785 0.90 TDP1 (0.48) MEN1KMT2AGAATDP1ATM
SCHEMBL25253835 0.85 MEN1 (0.46) MEN1KMT2AGAATDP1ATM
SCHEMBL4428307 0.84 C3AR1 (0.61) MEN1KMT2AGAATDP1NPSR1
SCHEMBL4431865 0.82 C3AR1 (0.54) MEN1KMT2AGAATDP1NPSR1
SCHEMBL4426821 0.81 C3AR1 (0.46) MEN1KMT2AGAATDP1SUCNR1
SCHEMBL4427440 0.81 C3AR1 (0.62) MEN1KMT2AGAATDP1ATM
SCHEMBL4437359 0.81 C3AR1 (0.62) MEN1KMT2AGAATDP1SUCNR1
SCHEMBL4429631 0.80 C3AR1 (0.47) MEN1KMT2AGAATDP1SUCNR1
SCHEMBL4427285 0.79 C3AR1 (0.65) MEN1KMT2AGAASUCNR1NPSR1

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-2023126297-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-07-06 — — WO disclosed
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