SCHEMBL11205795

SCHEMBL11205795

O=C(OC[C@H]1O[C@@H](n2cc(C=CBr)c(=O)[nH]c2=O)C[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.61
TK1 P04183 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TK2 O00142 5/20 0.51
POLB P06746 2/20 0.45
TYMS P04818 2/20 0.43
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL11205790 1.00 RNASE1 (0.61) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL11061538 0.92 RNASE1 (0.59) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL6235590 0.92 TK1 (0.53) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL6926181 0.92 TK1 (0.53) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL13273330 0.90 RNASE1 (0.62) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL3085099 0.90 TK1 (0.58) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL3085098 0.90 TK1 (0.58) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL11198667 0.90 RNASE1 (0.52) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL11197346 0.89 CYP1A2 (0.50) RNASE1TK1CYP1A2CYP3A4TSHR
SCHEMBL11208470 0.89 CYP1A2 (0.50) RNASE1TK1CYP1A2CYP3A4TSHR

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-0082668-A1 5-(2-Halogenovinyl)-2'-deoxyuridine derivatives, processes for their preparation, pharmaceutical compositions containing them and their use in treating viral infections BEECHAM GROUP PLC (GB) 1983-06-29 EP disclosed