SCHEMBL25253835

SCHEMBL25253835

CC(C)(C)OC(=O)NCCCC(NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ SUCNR1 Q9BXA5 5/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ ATM Q13315 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL25725402 0.91 TDP1 (0.44) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL25297663 0.85 MEN1 (0.51) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL25297664 0.85 MEN1 (0.51) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL4428307 0.80 C3AR1 (0.61) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL4431865 0.78 C3AR1 (0.54) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL4437359 0.77 C3AR1 (0.62) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL4427440 0.77 C3AR1 (0.62) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL4426821 0.77 C3AR1 (0.46) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL27518081 0.76 CA2 (0.50) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL27518088 0.76 CA2 (0.50) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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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