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Sugi Predict / Compounds / SCHEMBL12674530

SCHEMBL12674530

SCHEMBL12674530

CNC(=O)c1cc(N)cc(C(=O)NCC[C@H](NC(=O)[C@H](C)NC)C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCc3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 19/20 0.55
▸ BIRC3 Q13489 8/20 0.55
▸ BIRC2 Q13490 7/20 0.55
▸ BIRC7 Q96CA5 3/20 0.55

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
SCHEMBL12422386 0.98 XIAP (0.56) XIAPBIRC3BIRC2BIRC7
SCHEMBL12674533 0.94 XIAP (0.56) XIAPBIRC3BIRC2BIRC7
SCHEMBL12422379 0.93 XIAP (0.56) XIAPBIRC3BIRC2BIRC7
SCHEMBL12422146 0.92 XIAP (0.58) XIAPBIRC3BIRC2BIRC7
SCHEMBL13872920 0.90 XIAP (0.59) XIAPBIRC3BIRC2BIRC7
SCHEMBL12421698 0.89 XIAP (0.60) XIAPBIRC3BIRC2BIRC7
SCHEMBL12381616 0.89 BIRC2 (0.58) XIAPBIRC3BIRC2BIRC7
SCHEMBL12422567 0.87 XIAP (0.57) XIAPBIRC3BIRC2BIRC7
SCHEMBL10081311 0.87 XIAP (0.58) XIAPBIRC3BIRC2BIRC7
SCHEMBL13104601 0.87 XIAP (0.58) XIAPBIRC3BIRC2BIRC7

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-2011059763-A2 DIMERIC SMAC MIMETICS JOYANT PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO disclosed