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Sugi Predict / Compounds / SCHEMBL8027650

SCHEMBL8027650

SCHEMBL8027650

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(OCc2ccc(CC#N)cc2)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RNASE1 P07998 1/20 0.38
▸ TOP2A P11388 3/20 0.36
▸ TK1 P04183 3/20 0.35
▸ TK2 O00142 1/20 0.35
▸ TYMS P04818 1/20 0.33
▸ TYMP P19971 1/20 0.33

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
SCHEMBL24217787 0.94 RNASE1 (0.39) RNASE1TOP2ATK1TK2TYMS
SCHEMBL20706336 0.94 RNASE1 (0.39) RNASE1TOP2ATK1TK2TYMS
SCHEMBL20706307 0.91 RNASE1 (0.37) RNASE1TOP2ATK1TK2TYMS
SCHEMBL24217750 0.91 RNASE1 (0.37) RNASE1TOP2ATK1TK2TYMS
SCHEMBL20706330 0.90 RNASE1 (0.39) RNASE1TOP2ATK1TK2TYMS
SCHEMBL9550769 0.90 RNASE1 (0.40) RNASE1TOP2ATK1TK2TYMS
SCHEMBL22984007 0.90 RNASE1 (0.40) RNASE1TOP2ATK1TK2TYMS
SCHEMBL13930549 0.90 RNASE1 (0.40) RNASE1TOP2ATK1TK2TYMS
SCHEMBL13901245 0.90 RNASE1 (0.40) RNASE1TOP2ATK1TK2TYMS
SCHEMBL2031822 0.90 RNASE1 (0.40) RNASE1TOP2ATK1TK2TYMS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6160152-A Process for the synthesis of oligomeric compounds ISIS PHARMACEUTICALS, INC. (US) 2000-12-12 — — US disclosed
US-6020475-A Process for the synthesis of oligomeric compounds ISIS PHARMEUTICALS, INC. (US) 2000-02-01 — — US disclosed