SCHEMBL9550769

SCHEMBL9550769

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.40
TK1 P04183 3/20 0.36
TK2 O00142 2/20 0.35
TYMS P04818 1/20 0.35
TOP2A P11388 1/20 0.35
TYMP P19971 1/20 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
SCHEMBL13930549 1.00 RNASE1 (0.40) RNASE1TK1TK2TYMSTOP2A
SCHEMBL28600193 1.00 RNASE1 (0.40) RNASE1TK1TK2TYMSTOP2A
SCHEMBL14771517 1.00 RNASE1 (0.40) RNASE1TK1TK2TYMSTOP2A
SCHEMBL13952067 1.00 RNASE1 (0.40) RNASE1TK1TK2TYMSTOP2A
SCHEMBL13901245 1.00 RNASE1 (0.40) RNASE1TK1TK2TYMSTOP2A
SCHEMBL22984007 1.00 RNASE1 (0.40) RNASE1TK1TK2TYMSTOP2A
SCHEMBL2031822 1.00 RNASE1 (0.40) RNASE1TK1TK2TYMSTOP2A
SCHEMBL14770137 0.99 RNASE1 (0.39) RNASE1TK1TK2TYMSTOP2A
SCHEMBL8654714 0.95 RNASE1 (0.43) RNASE1TK1TK2TYMP
SCHEMBL24263898 0.94 TYMS (0.35) RNASE1TK1TYMSTYMP

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-0558749-A1 ANTISENSE NUCLEIC ACID DERIVATIVE SANKYO COMPANY LIMITED (JP) 1993-09-08 EP disclosed