SCHEMBL17440405

SCHEMBL17440405

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TK2 O00142 1/20 0.33
ALOX12 P18054 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL135210 0.80 TK1 (0.44) TK1LMNAADRA1ATSHRBLM
SCHEMBL16187026 0.80 TK1 (0.44) TK1LMNAADRA1ATSHRBLM
SCHEMBL19387606 0.79 TK1 (0.44) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL8195055 0.78 TK1 (0.38) TK1LMNASMN1; SMN2TK2ALOX12
Phosphoric Acid SCHEMBL7243142 0.77 TYMP (0.43) TK1LMNATSHRBLMPMP22
Phosphoric Acid SCHEMBL7240883 0.77 TYMP (0.43) TK1LMNATSHRBLMPMP22
SCHEMBL438241 0.72 SLC28A1 (0.44)
SCHEMBL1172380 0.72 TK1 (0.64) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL891641 0.72 TK1 (0.64) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL3087451 0.72 LMNA (0.37) TK1LMNASMN1; SMN2TK2ALOX12

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 3 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