Sugi Predict

Sugi Predict / Compounds / SCHEMBL8931959

SCHEMBL8931959

SCHEMBL8931959

COc1ccc(C(OC[C@@]2(C[N+](=O)[O-])O[C@@H](n3cc(C)c(=O)[nH]c3=O)CC2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 5/20 0.39
▸ TK2 O00142 8/20 0.35
▸ TK1 P04183 4/20 0.35

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
SCHEMBL8932071 0.91 TOP2A (0.40) TOP2ATK2TK1
SCHEMBL8931965 0.91 TOP2A (0.40) TOP2ATK2TK1
SCHEMBL6695999 0.87 TOP2A (0.37) TOP2ATK2TK1
SCHEMBL25397814 0.84 HSP90AA1 (0.40) TOP2ATK2
SCHEMBL25399282 0.83 HSP90AA1 (0.40) TOP2ATK2TK1
SCHEMBL25401145 0.80 DUT (0.38) TOP2A
SCHEMBL6830445 0.79 TK1 (0.42) TK2TK1
SCHEMBL6830442 0.79 TK1 (0.42) TK2TK1
SCHEMBL25401639 0.77 RNASE1 (0.43) TOP2ATK2TK1
SCHEMBL6827527 0.77 RNASE1 (0.43) TOP2ATK2TK1

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
US-5681940-A CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS ICN PHARMACEUTICALS (US) 1997-10-28 — — US disclosed