SCHEMBL9333418

SCHEMBL9333418

Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(I)c(=O)[nH]c3=O)C[C@@H]2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.50
RNASE1 P07998 1/20 0.48
BCHE P06276 3/20 0.47
TYMS P04818 1/20 0.46
TERT O14746 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
ABCG2 Q9UNQ0 3/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL9333421 1.00 TK1 (0.50) TK1RNASE1BCHETYMSTERT
SCHEMBL6542150 0.88 RNASE1 (0.61) TK1RNASE1BCHETYMSTERT
SCHEMBL30698170 0.88 RNASE1 (0.61) TK1RNASE1BCHETYMSTERT
SCHEMBL9331077 0.85 TK1 (0.56) TK1BCHEABCG2ABCB1
SCHEMBL9331081 0.85 TK1 (0.56) TK1BCHEABCG2ABCB1
SCHEMBL9477727 0.85 DUT (0.46) TK1RNASE1TYMSTERTCA12
SCHEMBL9331399 0.85 DUT (0.46) TK1RNASE1TYMSTERTCA12
SCHEMBL9331377 0.84 RNASE1 (0.44) TK1RNASE1TYMSTERTCA12
SCHEMBL9476925 0.84 RNASE1 (0.44) TK1RNASE1TYMSTERTCA12
SCHEMBL2584183 0.81 TYMS (0.60) TK1RNASE1TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356166-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1994-04-20 EP disclosed
US-5198539-A Viricides BURROUGHS WELLCOME CO. (US) 1993-03-30 US disclosed
US-5157114-A Treatment of HIV infections BURROUGHS WELLCOME CO. (US) 1992-10-20 US disclosed
EP-0356166-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1990-02-28 EP disclosed