SCHEMBL22100954

SCHEMBL22100954

CN[C@@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)ON1C(=O)CCC1O)C(C)C)C(C)(C)C)C(C)(C)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.50

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
SCHEMBL22111285 0.94 TUBB1 (0.51) TUBB1
SCHEMBL22308509 0.89 TUBB1 (0.56) TUBB1
SCHEMBL20732282 0.89 TUBB1 (0.56) TUBB1
SCHEMBL20732281 0.89 TUBB1 (0.56) TUBB1
SCHEMBL22309069 0.89 TUBB1 (0.56) TUBB1
SCHEMBL20732280 0.82 TUBB1 (0.57) TUBB1
SCHEMBL22309210 0.82 TUBB1 (0.57) TUBB1
SCHEMBL6805837 0.81 TUBB1 (0.57) TUBB1
SCHEMBL6799542 0.81 TUBB1 (0.57) TUBB1
SCHEMBL22307881 0.81 TUBB1 (0.70) TUBB1

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
EP-3666787-A1 ANTIBODY-DRUG CONJUGATES INCLUDING HEMIASTERLIN DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-06-17 — — EP disclosed
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