SCHEMBL7877862

SCHEMBL7877862

O=C(NCCOCCCc1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.58
TK2 O00142 1/20 0.58
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALOX12 P18054 1/20 0.55
ADRA1A P35348 1/20 0.55
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7877854 1.00 TK1 (0.58) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL6737951 0.91 TK1 (0.64) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL6737955 0.91 TK1 (0.64) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL13412992 0.91 TK1 (0.64) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL8167217 0.90 TK1 (0.62) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL13082855 0.84 LMNA (0.64) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL12060321 0.84 LMNA (0.64) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL7875550 0.83 TK1 (0.68) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL20684355 0.83 TK1 (0.58) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL7866081 0.82 LMNA (0.53) TK1TK2LMNASMN1; SMN2ALOX12

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-6312953-B1 MODIFIED OLIGONUCLEOTIDE COMPLEMENTARY TO A TARGET SEQUENCE AND HAVING AT LEAST TWO CROSSLINKING AGENTS COVALENTLY ATTATCHED; GENE EXPRESSION INHIBITION; DNA SEQUENCING; GENETIC MAPPING EPOCH PHARMACEUTICALS, INC. 2001-11-06 US disclosed
EP-0842186-A1 CROSS-LINKING OLIGONUCLEOTIDES MICROPROBE CORPORATION (US) 1998-05-20 EP disclosed
WO-1996040711-A1 CROSS-LINKING OLIGONUCLEOTIDES MICROPROBE CORPORATION (US) 1996-12-19 WO disclosed