SCHEMBL21086693

SCHEMBL21086693

CNC(C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)NS(=O)(=O)CCOC)C(C)C)C(C)(C)I)C(C)(C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.56
▸ MMP2 P08253 3/20 0.30
▸ MMP3 P08254 3/20 0.30
▸ MMP1 P03956 2/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ ADAM17 P78536 1/20 0.30

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
SCHEMBL19282571 0.95 TUBB1 (0.62) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL16176461 0.95 TUBB1 (0.62) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL16176459 0.95 TUBB1 (0.62) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL20723955 0.95 TUBB1 (0.62) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL16176457 0.95 TUBB1 (0.62) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL16176313 0.87 TUBB1 (0.58) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL16176311 0.87 TUBB1 (0.58) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL16176309 0.87 TUBB1 (0.58) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL19282582 0.87 TUBB1 (0.58) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL16183185 0.87 TUBB1 (0.60) TUBB1MMP2MMP3MMP1ADAM17

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-2968440-B1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2019-06-05 — — EP disclosed
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