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Sugi Predict / Compounds / SCHEMBL4749182

SCHEMBL4749182

SCHEMBL4749182

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C(=O)C2CN(C)C2)C[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 16/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL4805380 1.00 MGLL (0.39) MGLLMEN1KMT2AMAPK1
SCHEMBL4805388 1.00 MGLL (0.39) MGLLMEN1KMT2AMAPK1
SCHEMBL4751652 1.00 MGLL (0.39) MGLLMEN1KMT2AMAPK1
SCHEMBL4019244 0.91 MGLL (0.41) MGLL
SCHEMBL4018846 0.89 MGLL (0.36) MGLL
SCHEMBL4752869 0.87 MEN1 (0.40) MGLLMEN1KMT2AMAPK1
SCHEMBL4751351 0.87 MEN1 (0.40) MGLLMEN1KMT2AMAPK1
SCHEMBL4023656 0.86 MGLL (0.38) MGLLMEN1KMT2A
SCHEMBL4025192 0.86 MGLL (0.38) MGLLMEN1KMT2A
SCHEMBL4023658 0.86 MGLL (0.38) MGLLMEN1KMT2A

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-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 — — WO disclosed