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Sugi Predict / Compounds / SCHEMBL4752896

SCHEMBL4752896

SCHEMBL4752896

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(C(=O)N2CC(N(C)C)C2)CC1C(=O)c1cccc(O)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.34
▸ KIF11 P52732 6/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC2A1 P11166 1/20 0.31
▸ SLC2A4 P14672 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ OXTR P30559 1/20 0.31

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
SCHEMBL4752894 1.00 MGLL (0.34) MGLLKIF11PDK2MEN1KMT2A
SCHEMBL4749500 0.88 — —
SCHEMBL4787104 0.86 HRH4 (0.37) MGLLMEN1KMT2A
SCHEMBL4752082 0.86 HRH4 (0.37) MGLLMEN1KMT2A
SCHEMBL4025189 0.86 MGLL (0.38) MGLLMEN1KMT2ASLC2A1SLC2A4
SCHEMBL4023658 0.86 MGLL (0.38) MGLLMEN1KMT2ASLC2A1SLC2A4
SCHEMBL4025192 0.86 MGLL (0.38) MGLLMEN1KMT2ASLC2A1SLC2A4
SCHEMBL4023656 0.86 MGLL (0.38) MGLLMEN1KMT2ASLC2A1SLC2A4
SCHEMBL4021758 0.84 MGLL (0.36) MGLLKIF11OPRD1OPRK1
SCHEMBL4021764 0.84 MGLL (0.36) MGLLKIF11OPRD1OPRK1

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