SCHEMBL891641

SCHEMBL891641

C=C(C#N)c1cn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ALOX12 P18054 1/20 0.60
ADRA1A P35348 1/20 0.60
TK2 O00142 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL1172380 1.00 TK1 (0.64) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL3514717 0.89 TK1 (0.64) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL5982682 0.88 TK1 (0.70) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL11052655 0.88 TK1 (0.70) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL10400312 0.88 TK1 (0.70) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL3513430 0.85 TK1 (0.59) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL5983818 0.85 TK1 (0.67) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL5982148 0.85 TK1 (0.67) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL10401030 0.85 TK1 (0.71) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL9465344 0.85 TK1 (0.67) TK1LMNASMN1; SMN2ALOX12ADRA1A

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-20170175177-A1 METHOD FOR DETECTING NUCLEIC ACID, CAPTURE PROBE, DETECTION PROBE SET, MICROARRAY, NUCLEIC ACID DETECTION KIT, NUCLEIC-ACID-IMMOBILIZED SOLID PHASE, AND FLUID DEVICE NIKON CORPORATION (JP) 2017-06-22 US disclosed
EP-3170898-A1 METHOD FOR DETECTING NUCLEIC ACID, CAPTURE PROBE, DETECTION PROBE SET, MICROARRAY, NUCLEIC ACID DETECTION KIT, NUCLEIC-ACID-IMMOBILIZED SOLID PHASE, AND FLUID DEVICE The University of Tokyo (JP) 2017-05-24 EP disclosed
WO-2016010047-A1 METHOD FOR DETECTING NUCLEIC ACID, CAPTURE PROBE, DETECTION PROBE SET, MICROARRAY, NUCLEIC ACID DETECTION KIT, NUCLEIC-ACID-IMMOBILIZED SOLID PHASE, AND FLUID DEVICE 国立大学法人東京大学 2016-01-21 WO disclosed
US-9157885-B2 Method of electrochemically detecting target substance, method of electrochemically detecting analyte, test chip, and detection set SYSMEX CORPORATION (JP) 2015-10-13 US disclosed
US-20120080324-A1 METHOD OF ELECTROCHEMICALLY DETECTING TARGET SUBSTANCE, METHOD OF ELECTROCHEMICALLY DETECTING ANALYTE, TEST CHIP, AND DETECTION SET SYSMEX CORPORATION (JP) 2012-04-05 US disclosed
JP-2005350386-A DEOXYURIDINE DERIVATIVE AND PHOTORESPONSIVE NUCLEOTIDE JAPAN SCIENCE & TECHNOLOGY AGENCY 2005-12-22 JP disclosed