SCHEMBL8932097

SCHEMBL8932097

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.39
TOP2A P11388 5/20 0.38
NT5M Q9NPB1 1/20 0.37
RNASE1 P07998 1/20 0.36

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
SCHEMBL8932052 0.77 TK1 (0.38) TK1NT5MRNASE1
SCHEMBL8932071 0.77 TOP2A (0.40) TK1TOP2A
SCHEMBL8931941 0.76 TK1 (0.36) TK1TOP2ANT5MRNASE1
SCHEMBL8597107 0.76 TK1 (0.46) TK1NT5MRNASE1
SCHEMBL6830442 0.75 TK1 (0.42) TK1NT5MRNASE1
SCHEMBL6830445 0.75 TK1 (0.42) TK1NT5MRNASE1
SCHEMBL8931997 0.75 TK1 (0.35) TK1
SCHEMBL25630176 0.74 TK1 (0.41) TK1NT5MRNASE1
SCHEMBL18315872 0.74 TK1 (0.41) TK1NT5MRNASE1
SCHEMBL8931965 0.72 TOP2A (0.40) TK1TOP2A

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