SCHEMBL229686

SCHEMBL229686

CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](n2ccc3c(NCC4CC4)ncnc32)C[C@@H]1O[Si](C)(C)C(C)(C)C.OC[C@@H]1C[C@@H](n2ccc3c(NCC4CC4)ncnc32)C[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ UBA6 A0AVT1 2/20 0.39
▸ GRK5 P34947 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ NEDD8 Q15843 1/20 0.39
▸ UBA3 Q8TBC4 1/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ UBA2 Q9UBT2 1/20 0.39
▸ PRMT5 O14744 9/20 0.36
▸ WDR77 Q9BQA1 9/20 0.36
▸ ADK P55263 1/20 0.34
▸ P2RY1 P47900 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ ACACB O00763 1/20 0.32

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
SCHEMBL192272 0.93 PRMT5 (0.37) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL10004893 0.93 PRMT5 (0.37) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL10004894 0.93 PRMT5 (0.37) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL192061 0.91 PRMT5 (0.39) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL12988072 0.91 PRMT5 (0.39) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL192062 0.91 PRMT5 (0.39) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL12988075 0.91 PRMT5 (0.39) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL230988 0.84 NAE1 (0.46) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL230987 0.84 NAE1 (0.46) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL192849 0.82 NAE1 (0.49) NAE1CA2UBA6GRK5CSNK1A1

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-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 — — EP disclosed
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