SCHEMBL28634045

SCHEMBL28634045

C#CCCCON(C(=O)C(N=[N+]=[N-])C(C)CC)C(CC(O[Si](C)(C)C(C)(C)C)c1nc(C(=O)OCC)cs1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.33

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
SCHEMBL22154599 1.00 ABCB1 (0.33) ABCB1
SCHEMBL28632005 0.91 ABCB1 (0.34) ABCB1
SCHEMBL28632004 0.91 ABCB1 (0.34) ABCB1
SCHEMBL28633849 0.89 ABCB1 (0.35) ABCB1
SCHEMBL25829279 0.89 ABCB1 (0.35) ABCB1
SCHEMBL28633853 0.89 ABCB1 (0.35) ABCB1
SCHEMBL28646537 0.85 GAA (0.37)
SCHEMBL28642360 0.85 ABCB1 (0.41) ABCB1
SCHEMBL22154261 0.85 ABCB1 (0.41) ABCB1
SCHEMBL22154709 0.83

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
CN-113454097-A Tubulysins and protein-tubulysin conjugates 里珍纳龙药品有限公司 2021-09-28 CN disclosed