SCHEMBL9780645

SCHEMBL9780645

NC[C@@H]1O[C@H](n2cc(Br)c(=O)[nH]c2=O)CC1O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALOX12 P18054 1/20 0.55
ADRA1A P35348 1/20 0.55
TK2 O00142 1/20 0.54
TYMS P04818 1/20 0.52

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
SCHEMBL9780632 1.00 TK1 (0.58) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL6838881 0.90 TK1 (0.64) TK1LMNASMN1; SMN2CYP1A2CYP3A4
Broxuridine SCHEMBL20769775 0.89 TK1 (0.73) TK1LMNASMN1; SMN2CYP1A2CYP3A4
Broxuridine SCHEMBL27755 0.89 TK1 (0.73) TK1LMNASMN1; SMN2CYP1A2CYP3A4
Broxuridine SCHEMBL27756 0.89 TK1 (0.73) TK1LMNASMN1; SMN2CYP1A2CYP3A4
Broxuridine SCHEMBL65484 0.89 TK1 (0.73) TK1LMNASMN1; SMN2CYP1A2CYP3A4
Broxuridine SCHEMBL14457631 0.89 TK1 (0.73) TK1LMNASMN1; SMN2CYP1A2CYP3A4
Broxuridine SCHEMBL21423028 0.89 TK1 (0.73) TK1LMNASMN1; SMN2CYP1A2CYP3A4
Broxuridine SCHEMBL21137660 0.89 TK1 (0.73) TK1LMNASMN1; SMN2CYP1A2CYP3A4
Broxuridine SCHEMBL9153195 0.89 TK1 (0.73) TK1LMNASMN1; SMN2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4000260-A 5'-AMINO-2',5'-DIDEOXY-5-IODO(BROMO) URIDINE RESEARCH CORPORATION (US) 1976-12-28 US claimed
EP-0257378-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-07-03 EP disclosed
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed
US-4000260-A 5'-AMINO-2',5'-DIDEOXY-5-IODO(BROMO) URIDINE RESEARCH CORPORATION (US) 1976-12-28 US disclosed
US-4000260-A 5'-AMINO-2',5'-DIDEOXY-5-IODO(BROMO) URIDINE RESEARCH CORPORATION (US) 1976-12-28 US disclosed