SCHEMBL6733500

SCHEMBL6733500

NCCCCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.74
TK2 O00142 1/20 0.74
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
ALOX12 P18054 1/20 0.60
ADRA1A P35348 1/20 0.60
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
SCHEMBL6733504 1.00 TK1 (0.74) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL8165629 0.99 TK1 (0.73) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL4205795 0.99 TK1 (0.73) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL8165631 0.99 TK1 (0.73) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL888210 0.97 TK1 (0.76) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL532244 0.97 TK1 (0.76) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL31490225 0.92 TK1 (0.79) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL17456217 0.91 TK1 (0.78) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL17456218 0.91 TK1 (0.78) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL1679403 0.89 TK1 (0.85) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38416-E1 NUCLEOTIDE BASES COMPRISING PYRAZOLO(3,4-D)PYRIMIDINES USED FOR MEDICAL DIAGNOSIS, THERAPY, HYBRIDIZATION, ANTISENSE AGENTS OR REPORTER MOLECULES EPOCH BIOSCIENCES, INC. 2004-02-03 US disclosed
US-5849482-A Crosslinking oligonucleotides EPOCH PHARMACEUTICALS, INC. (US) 1998-12-15 US disclosed
US-5824796-A MEDICAL DIAGNOSIS WITH TARGET DNA OR RNA FOR ENZYME INHIBITORS EPOCH PHARMACEUTICALS, INC. (US) 1998-10-20 US disclosed
EP-0842186-A1 CROSS-LINKING OLIGONUCLEOTIDES MICROPROBE CORPORATION (US) 1998-05-20 EP disclosed
WO-1993003736-A1 CROSS-LINKING OLIGONUCLEOTIDES FOR ENZYME-MEDIATED TRIPLE STRAND FORMATION MICROPROBE CORPORATION (US) 1993-03-04 WO disclosed