SCHEMBL27340271

SCHEMBL27340271

NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCNC(=O)CCCC(=O)ON2C(=O)CCC2=O)s1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 20/20 0.61
▸ CA2 P00918 20/20 0.61
▸ CA9 Q16790 18/20 0.61
▸ CA4 P22748 17/20 0.61
▸ CA12 O43570 15/20 0.61
▸ CA14 Q9ULX7 15/20 0.61
▸ CA3 P07451 13/20 0.61
▸ CA6 P23280 13/20 0.61
▸ CA5A P35218 13/20 0.61
▸ CA7 P43166 13/20 0.61
▸ CA13 Q8N1Q1 13/20 0.61
▸ CA5B Q9Y2D0 13/20 0.61

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
SCHEMBL27344529 0.81 CA1 (0.70) CA1CA2CA9CA4CA12
SCHEMBL26259445 0.74 CA1 (1.00) CA1CA2CA9CA4CA12
SCHEMBL19359112 0.73 CA1 (0.83) CA1CA2CA9CA4CA12
SCHEMBL14103627 0.73 SMN1; SMN2 (0.42) CA1CA2
SCHEMBL18250682 0.72 SMN1; SMN2 (0.41) —
SCHEMBL16983305 0.71 CA1 (0.91) CA1CA2CA9CA4CA12
SCHEMBL20008742 0.70 SMN1; SMN2 (0.48) CA1CA2CA9CA4CA12
SCHEMBL12285597 0.70 SMN1; SMN2 (0.45) —
SCHEMBL21141592 0.70 SMN1; SMN2 (0.39) —
SCHEMBL13405586 0.70 SMN1; SMN2 (0.45) CA1CA2

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-2024105206-A1 ANTIBODY-DRUG-CONJUGATES CLEAVABLE IN A TUMOR MICROENVIRONMENT VINCERX PHARMA GMBH (DE) 2024-05-23 — — WO disclosed
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