SCHEMBL17762952

SCHEMBL17762952

CCC#Cc1cn([C@H]2C[C@H](OC(=O)C(C)(C)C)[C@@H](CC)O2)c(=O)nc1N

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 5/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ DNMT3B Q9UBC3 1/20 0.32
▸ RNASE1 P07998 1/20 0.32
▸ POLG P54098 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
SCHEMBL17762953 0.87 POLB (0.39) DNMT1ADRB1POLBALBDNMT3B
SCHEMBL17762951 0.84 DNMT1 (0.36) DNMT1ADRB1POLBALBDNMT3B
SCHEMBL17762957 0.83 CA2 (0.43) —
SCHEMBL17747106 0.82 DNMT1 (0.31) DNMT1ADRB1POLBALBPOLG
SCHEMBL22383231 0.78 RNASE1 (0.48) DNMT1ADRB1POLBALBDNMT3B
SCHEMBL15729983 0.78 P2RY1 (0.47) —
SCHEMBL17762958 0.77 CA2 (0.43) —
SCHEMBL2611638 0.77 DNMT1 (0.38) DNMT1ADRB1POLBALBDNMT3B
SCHEMBL19120345 0.77 DNMT1 (0.43) DNMT1ADRB1POLBALBDNMT3B
SCHEMBL2611639 0.76 ALB (0.32) DNMT1ADRB1ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160139133-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS QUANTUMDX GROUP LIMITED (GB) 2016-05-19 — — US disclosed
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