SCHEMBL14946758

SCHEMBL14946758

O=[N+]([O-])c1cc(I)cn1[C@H]1C[C@@H](O)[C@@H](CO)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.51
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ADRB1 P08588 1/20 0.46
DNMT1 P26358 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX12 P18054 1/20 0.43
ADRA1A P35348 1/20 0.43
TK2 O00142 1/20 0.42
SLC29A1 Q99808 1/20 0.41
PIM1 P11309 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40

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
SCHEMBL13488841 1.00 TK1 (0.51) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL2494647 1.00 TK1 (0.51) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL20953781 1.00 TK1 (0.51) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL14714996 0.85 TK1 (0.46) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL14946754 0.85 TK1 (0.46) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL2498542 0.81 TK1 (0.42) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL14715124 0.78 LMNA (0.40) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL14946761 0.78 SLC29A1 (0.45) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL2495045 0.78 SLC29A1 (0.45) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL14944711 0.78 SLC29A1 (0.45) TK1LMNASMN1; SMN2ADRB1DNMT1

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
US-20130122506-A1 NUCLEIC ACID BASE ANALOGS WITH QUENCHING AND FLUORESCENT ACTIVITIES AND APPLICATIONS THEREOF TAGCYX BIOTECHNOLOGIES C/O RIKEN (JP) 2013-05-16 US disclosed