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SCHEMBL4776575

SCHEMBL4776575

CN(C)C(=O)CN1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1.Cc1cccc(C2C(C(=O)c3ccccc3)CN(CC(=O)N(C)C)CC2C(=O)c2ccccc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 11/20 0.39
▸ RORC P51449 1/20 0.35
▸ GRIN2B Q13224 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC4 P56524 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
SCHEMBL4776569 1.00 KIF11 (0.39) KIF11RORCGRIN2BMEN1KMT2A
SCHEMBL4024526 0.96 KIF11 (0.37) KIF11RORCGRIN2BMEN1KMT2A
SCHEMBL4020347 0.96 KIF11 (0.37) KIF11RORCGRIN2BMEN1KMT2A
SCHEMBL4020344 0.96 KIF11 (0.37) KIF11RORCGRIN2BMEN1KMT2A
SCHEMBL4774850 0.90 RORC (0.45) KIF11RORCGRIN2B
SCHEMBL4774146 0.88 DRD3 (0.38) KIF11GRIN2B
SCHEMBL4025031 0.88 LMNA (0.37) RORCGRIN2BMEN1KMT2AHDAC4
SCHEMBL4025032 0.88 LMNA (0.37) RORCGRIN2BMEN1KMT2AHDAC4
SCHEMBL4019710 0.88 RORC (0.43) RORCGRIN2BMEN1KMT2A
SCHEMBL4024572 0.88 RORC (0.43) RORCGRIN2BMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 — — EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 — — WO claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 — — EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 — — WO disclosed