SCHEMBL4414876

SCHEMBL4414876

CC(C)(C)[Si](C)(C)[C@]1(n2cc(I)c(=O)[nH]c2=O)C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.45
PYGM P11217 2/20 0.41
TK2 O00142 1/20 0.36
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX12 P18054 1/20 0.34
ADRA1A P35348 1/20 0.34
P2RY6 Q15077 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8145394 0.88 TK1 (0.42) TK1TK2LMNAADRA1ABLM
SCHEMBL30241268 0.88 LMNA (0.45) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL29875731 0.81 TLR7 (0.36) TK1CYP3A4
SCHEMBL7776579 0.81 SLC28A1 (0.40) TK1TK2P2RY6
SCHEMBL8846493 0.78 TK1 (0.50) TK1PYGMTK2LMNASMN1; SMN2
SCHEMBL27561054 0.77 TK1 (0.43) TK1TK2LMNAADRA1ATSHR
SCHEMBL8744138 0.76 TK1 (0.41) TK1TK2LMNAADRA1ABLM
SCHEMBL29950395 0.76 LMNA (0.31) LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL9396543 0.75 RNASE1 (0.39) TK1TK2
SCHEMBL4581987 0.75 TK1 (0.40) TK1TK2LMNAADRA1ABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476694-B Nucleotide compounds 奇根科学有限责任公司 2022-09-30 CN disclosed
US-20090325172-A1 Modified nucleotides SOLEXA LIMITED 2009-12-31 US disclosed